Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | PTP4A1 | Q93096 | 1/20 | 0.49 |
| ▸ | MIF | P14174 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 4/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 2/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.47 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6152101 | 1.00 | CYP2C9 (0.62) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL9545461 | 1.00 | CYP2C9 (0.62) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL2755215 | 0.85 | CYP2C9 (0.69) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL4906704 | 0.85 | CYP2C9 (0.69) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL4961560 | 0.85 | CYP2C9 (0.69) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL27638684 | 0.85 | CYP2C9 (0.46) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL1680433 | 0.82 | CYP2C9 (0.65) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL8025998 | 0.82 | CYP2C9 (0.65) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL1680434 | 0.82 | CYP2C9 (0.65) | CYP2C9ALDH1A1TSHRMAPTKDM4E | |
| SCHEMBL19355063 | 0.82 | CYP2C9 (0.65) | CYP2C9ALDH1A1TSHRMAPTKDM4E |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101671270-B | Method for synthesizing cyanoacetylene derivatives | HANGZHOU ALLSINO CHEMICALS CO LTD | 2013-07-31 | — | — | CN | disclosed |
| US-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | NAKAMOTO KAZUTAKA | 2011-08-11 | — | — | US | disclosed |
| US-7932272-B2 | Antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-04-26 | — | — | US | disclosed |
| CN-101671270-A | Method for synthesizing cyanoacetylene derivatives | HANGZHOU ALLSINO CHEMICALS CO | 2010-03-17 | — | — | CN | disclosed |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-09-10 | — | — | US | disclosed |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2007-05-10 | — | — | US | disclosed |
| EP-1782811-A1 | NOVEL ANTIMALARIA AGENT CONTAINING HETEROCYCLIC COMPOUND | Eisai R&D Management Co., Ltd. (JP) | 2007-05-09 | — | — | EP | disclosed |
| EP-1669348-A1 | NOVEL ANTIFUNGAL AGENT COMPRISING HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 2006-06-14 | — | — | EP | disclosed |
| EP-0898732-B1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING 3-HETEROAROMATIC-SUBSTITUTED ACRYLONITRILE COMPOUNDS AS CO-DEVELOPERS | EASTMAN KODAK CO (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-0852026-B1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING ACRYLONITRILE COMPOUNDS AS CO-DEVELOPERS | EASTMAN KODAK CO (US) | 2000-03-01 | — | — | EP | disclosed |
| EP-0898732-A1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING 3-HETEROAROMATIC-SUBSTITUTED ACRYLONITRILE COMPOUNDS AS CO-DEVELOPERS | Imation Corp. (US) | 1999-03-03 | — | — | EP | disclosed |
| EP-0852026-A1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING ACRYLONITRILE COMPOUNDS AS CO-DEVELOPERS | Imation Corp. (US) | 1998-07-08 | — | — | EP | disclosed |
| WO-1997043690-A1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING 3-HETEROAROMATIC-SUBSTITUTED ACRYLONITRILE COMPOUNDS AS CO-DEVELOPERS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-11-20 | — | — | WO | disclosed |
| US-5635339-A | 3-heteroaramatic-substituted acrylonitrile compounds as co-developers for black-and-white photothermographic and thermographic elements | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1997-06-03 | — | — | US | disclosed |
| WO-1997011409-A1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING ACRYLONITRILE COMPOUNDS AS CO-DEVELOPERS | IMATION CORP. (US) | 1997-03-27 | — | — | WO | disclosed |
| US-5545515-A | ELEMENT CONTAINING SILVER REDUCING AGENT SYSTEM INCLUDING HINDERED PHENOL AND ACRYLONITRILE COMPOUND | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1996-08-13 | — | — | US | disclosed |
| WO-1993018035-A1 | ANGIOTENSIN II RECEPTOR ANTAGONISTS | ABBOTT LABORATORIES (US) | 1993-09-16 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 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-20110195999-A1 | NOVEL ANTIFUNGAL AGENT CONTAINING HETEROCYCLIC COMPOUND | ERG28, CYP51A1, XPO1 | CYP2C9 1072/4885ALDH1A1 1677/4885TSHR 3875/4885 |
| US-20090227799-A1 | Novel Antimalarial Agent Containing Heterocyclic Compound | XPO1, THPO, G6PD | CYP2C9 3419/4885ALDH1A1 1926/4885TSHR 3836/4885 |
| US-20070105943-A1 | Novel antifungal agent containing heterocyclic compound | ERG28, DPM1, CYP51A1 | CYP2C9 1154/4885ALDH1A1 1459/4885TSHR 3952/4885 |
“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.