Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.60 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.60 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.58 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.57 |
| ▸ | GAA | P10253 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | HTT | P42858 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.50 |
| ▸ | RXRA | P19793 | 1/20 | 0.50 |
| ▸ | RXRB | P28702 | 1/20 | 0.50 |
| ▸ | RXRG | P48443 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 3/20 | 0.48 |
| ▸ | APEX1 | P27695 | 2/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL104746 | 0.98 | CA2 (0.62) | CA2CAMK2AAKR1B1CTBP2GAA | |
| Hydrochloric Acid SCHEMBL2170212 | 0.95 | CA2 (0.60) | CA2CAMK2AAKR1B1CTBP2GAA | |
| Fluoride SCHEMBL11185179 | 0.95 | CA2 (0.60) | CA2CAMK2AAKR1B1CTBP2GAA | |
| Methane SCHEMBL10453233 | 0.94 | LMNA (0.67) | CA2CAMK2AAKR1B1CTBP2GAA | |
| Hydrazine SCHEMBL18601422 | 0.93 | CA2 (0.58) | CA2CAMK2AAKR1B1CTBP2GAA | |
| SCHEMBL538299 | 0.91 | LMNA (0.69) | CA2CAMK2AAKR1B1CTBP2GAA | |
| SCHEMBL5455400 | 0.86 | GAA (0.59) | CA2CAMK2AAKR1B1CTBP2GAA | |
| SCHEMBL3500048 | 0.86 | SRD5A2 (0.62) | CA2CAMK2AAKR1B1CTBP2GAA | |
| SCHEMBL69614 | 0.84 | CA2 (0.79) | CA2CAMK2AAKR1B1GAALMNA | |
| Toluene SCHEMBL10858409 | 0.84 | AKR1B1 (0.57) | CA2CAMK2AAKR1B1CTBP2GAA |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8404679-B2 | Pyrrolidine derivatives as NK2 receptor antagonists | HOFFMANN-LA ROCHE INC. (US) | 2013-03-26 | — | — | US | disclosed |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | BISSANTZ CATERINA (FR) | 2012-08-16 | — | — | US | disclosed |
| EP-1992618-B1 | POLYCYCLIC CINNAMIDE DERIVATIVE | EISAI R&D MAN CO LTD (JP) | 2012-01-18 | — | — | EP | disclosed |
| US-7973033-B2 | Multi-cyclic cinnamide derivatives | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-07-05 | — | — | US | disclosed |
| US-20110112138-A1 | MULTI-CYCLIC CINNAMIDE DERIVATIVES | KIMURA TEIJI | 2011-05-12 | — | — | US | disclosed |
| EP-2297098-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | F. Hoffmann-La Roche AG (CH) | 2011-03-23 | — | — | EP | disclosed |
| US-7897632-B2 | Multi-cyclic cinnamide derivatives | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-03-01 | — | — | US | disclosed |
| CN-101815713-A | Polycyclic compounds | EISAI R&D MAN CO LTD | 2010-08-25 | — | — | CN | disclosed |
| US-20100168095-A1 | MULTI-CYCLIC CINNAMIDE DERIVATIVES | KIMURA TEIJI | 2010-07-01 | — | — | US | disclosed |
| US-7713993-B2 | Multi-cycle cinnamide derivatives | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2010-05-11 | — | — | US | disclosed |
| EP-1992618-A1 | POLYCYCLIC CINNAMIDE DERIVATIVE | Eisai R&D Management Co., Ltd. (JP) | 2008-11-19 | — | — | EP | disclosed |
| US-20070219181-A1 | Multi-cyclic cinnamide derivatives | EISAI R&D MANAGEMENT CO., LTD. | 2007-09-20 | — | — | US | disclosed |
| EP-1126833-A4 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES INC (US) | 2004-09-08 | — | — | EP | disclosed |
| EP-1126833-A2 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2001-08-29 | — | — | EP | disclosed |
| EP-1091958-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2001-04-18 | — | — | EP | disclosed |
| WO-2000025768-A1 | OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF | TREGA BIOSCIENCES, INC. (US) | 2000-05-11 | — | — | WO | disclosed |
| WO-2000001692-A1 | SALTS OF PAROXETINE | SMITHKLINE BEECHAM PLC (GB) | 2000-01-13 | — | — | WO | disclosed |
| US-5981529-A | Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists | MERCK SHARP & DOHME LIMITED (GB) | 1999-11-09 | — | — | US | disclosed |
| EP-0854714-A1 | SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS | MERCK SHARP & DOHME LTD. (GB) | 1998-07-29 | — | — | EP | disclosed |
| WO-1997011695-A1 | SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 1997-04-03 | — | — | 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 (4 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-20110112138-A1 | MULTI-CYCLIC CINNAMIDE DERIVATIVES | BACE1, APP, PSEN1 | CA2 1468/4885CAMK2A 751/4885AKR1B1 246/4885 |
| US-20070219181-A1 | Multi-cyclic cinnamide derivatives | BACE1, APP, PSEN1 | CA2 1468/4885CAMK2A 751/4885AKR1B1 246/4885 |
| US-20100168095-A1 | MULTI-CYCLIC CINNAMIDE DERIVATIVES | BACE1, APP, PSEN1 | CA2 1468/4885CAMK2A 751/4885AKR1B1 246/4885 |
| US-20120208803-A1 | PYRROLIDINE DERIVATIVES AS NK2 RECEPTOR ANTAGONISTS | TACR2, PRLHR, AVPR2 | CA2 3470/4885CAMK2A 2001/4885AKR1B1 239/4885 |
“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.