Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | CDC25A | P30304 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | CDC25C | P30307 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.39 |
| ▸ | VCP | P55072 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.38 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.38 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.38 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.37 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2752780 | 0.81 | GRM5 (0.41) | GAA | |
| SCHEMBL2751692 | 0.77 | ALDH1A1 (0.43) | MAOAMAOBKDM4ECYP11B2 | |
| SCHEMBL2753884 | 0.75 | STS (0.31) | GAA | |
| SCHEMBL10515566 | 0.75 | LTA4H (0.46) | GAANPC1RAB9AARKDM4E | |
| SCHEMBL5540279 | 0.75 | RAB9A (0.47) | NPC1RAB9AKIF11ARGABRA1 | |
| SCHEMBL468044 | 0.75 | RAB9A (0.41) | GAANPC1RAB9AKDM4ENOTUM | |
| SCHEMBL70645 | 0.74 | ALDH1A1 (0.42) | NPC1RAB9AARKDM4ENOTUM | |
| SCHEMBL443517 | 0.74 | LMNA (0.43) | NPC1RAB9AKIF11ARKDM4E | |
| SCHEMBL1915529 | 0.72 | METAP2 (0.44) | GAANPC1RAB9AKDM4E | |
| SCHEMBL468050 | 0.72 | KIF11 (0.50) | KIF11MAOBKDM4EKDM1A |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 78 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101824002-B | Water soluble triazole compound and synthesis method thereof | NANJING HUAWE MEDICINE TECHNOLOGY DEV CO LTD | 2012-01-11 | — | — | CN | claimed |
| EP-1441719-B1 | N-SUBSTITUTED PYRROLIDIN DERIVATIVES AS DIPEPTIDYL PEPTIDASE IV INHIBITORS | HOFFMANN LA ROCHE (CH) | 2011-03-30 | — | — | EP | claimed |
| EP-1877403-B1 | MONO-LYSINE SALTS OF AZOLE COMPOUNDS | EISAI R&D MAN CO LTD (JP) | 2011-03-30 | — | — | EP | claimed |
| US-7803819-B2 | DPP IV inhibitors | HOFFMANN-LA ROCHE INC. (US) | 2010-09-28 | — | — | US | claimed |
| CN-101824002-A | Water soluble triazole compound and synthesis method thereof | NANJING HUAWE MEDICINE TECHNOLOGY DEV CO LTD | 2010-09-08 | — | — | CN | claimed |
| CN-101575320-A | Water-soluble triazole antifungal compound | NANJING HUAWE MEDICAL TECHNOLO (CN) | 2009-11-11 | — | — | CN | claimed |
| EP-1877403-A1 | MONO-LYSINE SALTS OF AZOLE COMPOUNDS | Eisai R&D Management Co., Ltd. (JP) | 2008-01-16 | — | — | EP | claimed |
| US-20070259925-A1 | DPP IV INHIBITORS | BOEHRINGER MARKUS | 2007-11-08 | — | — | US | claimed |
| US-20060264406-A1 | Mono-lysine salts of azole compounds | EISAI CO., LTD. (JP) | 2006-11-23 | — | — | US | claimed |
| WO-2006118351-A1 | MONO-LYSINE SALTS OF AZOLE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2006-11-09 | — | — | WO | claimed |
| US-6458961-B1 | TRIAZOLE CONTAINING FUNGICIDES; PHOSPHATE IS LINKED TO (2R,3R)-3-(4-(4-CYANOPHENYL)THIAZOL-2-YL)-2-(2,4-DIFLUOROPHENY L) -1-(1H-1,2,4-TRIAZOL-1-YL)-BUTAN-2-OL | BRISTOL-MYERS SQUIBB COMPANY | 2002-10-01 | — | — | US | claimed |
| US-20020049334-A1 | Triazole containing fungicides such as (2R,3R)-3-(4-(4-cyano phenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazo l-1-yl)-2-(((o-phosphonooxy)benzoyloxy)methoxy)butane | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2002-04-25 | — | — | US | claimed |
| US-20020049336-A1 | Water soluble prodrugs of azole compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2002-04-25 | — | — | US | claimed |
| US-6362172-B2 | (DIHYDROGEN PHOSPHONOXY)ALKYLOXY CONTAINING A TRIAZOLE DERIVATIVE USED AS ANTIFUNGAL AGENT | BRISTOL-MYERS SQUIBB COMPANY | 2002-03-26 | — | — | US | claimed |
| US-20010041691-A1 | Water soluble prodrugs of azole compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2001-11-15 | — | — | US | claimed |
| US-20010039353-A1 | Water soluble prodrugs of azole compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2001-11-08 | — | — | US | claimed |
| US-20010012843-A1 | Water soluble prodrugs of azole compounds | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2001-08-09 | — | — | US | claimed |
| WO-2001052852-A1 | WATER SOLUBLE PRODRUGS OF AZOLE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2001-07-26 | — | — | WO | claimed |
| WO-2000030655-A1 | WATER SOLUBLE PRODRUGS OF AZOLE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2000-06-02 | — | — | WO | claimed |
| WO-1999061017-A1 | WATER-SOLUBLE PRODRUGS OF AZOLE COMPOUNDS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-12-02 | — | — | WO | claimed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20020049336-A1 | Water soluble prodrugs of azole compounds | CYP51A1, ERG28, CYP3A7 | GAA 1636/4885NPC1 385/4885RAB9A 2841/4885 |
| US-20060264406-A1 | Mono-lysine salts of azole compounds | ERG28, HRH3, KDM7A | GAA 1601/4885NPC1 1237/4885RAB9A 2944/4885 |
| US-20010039353-A1 | Water soluble prodrugs of azole compounds | CYP51A1, ERG28, CYP3A7 | GAA 844/4885NPC1 450/4885RAB9A 2761/4885 |
| US-20010012843-A1 | Water soluble prodrugs of azole compounds | CYP51A1, ERG28, CYP3A7 | GAA 844/4885NPC1 450/4885RAB9A 2761/4885 |
| US-20070259925-A1 | DPP IV INHIBITORS | DPP4, DPP3, DPP7 | GAA 159/4885NPC1 801/4885RAB9A 3061/4885 |
| US-20020049334-A1 | Triazole containing fungicides such as (2R,3R)-3-(4-(4-cyano phenyl)thiazol-2-yl)-2-(2,4-difluorophenyl)-1-(1H-1,2,4-triazo l-1-yl)-2-(((o-phosphonooxy)benzoyloxy)methoxy)butane | CYP51A1, CYP4B1, TH | GAA 1167/4885NPC1 948/4885RAB9A 4141/4885 |
| US-20010041691-A1 | Water soluble prodrugs of azole compounds | CYP51A1, ERG28, CYP7A1 | GAA 769/4885NPC1 557/4885RAB9A 2543/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.