Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.51 |
| ▸ | CHRNB2 | P17787 | 4/20 | 0.51 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.51 |
| ▸ | CYP2B6 | P20813 | 3/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | GRM5 | P41594 | 3/20 | 0.47 |
| ▸ | ERN1 | O75460 | 1/20 | 0.47 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.47 |
| ▸ | CYP2E1 | P05181 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL31697750 | 1.00 | CYP2A6 (0.51) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL6121465 | 0.82 | GRM5 (0.49) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL15758742 | 0.82 | ALDH1A1 (0.46) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL23009368 | 0.80 | CYP2A6 (0.51) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL124863 | 0.80 | NPSR1 (0.55) | ALDH1A1FFAR1 | |
| SCHEMBL7240082 | 0.79 | CHRNB2 (0.51) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL3783164 | 0.78 | FFAR1 (0.55) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL29952466 | 0.78 | FFAR1 (0.55) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL3838348 | 0.78 | ALDH1A1 (0.61) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 | |
| SCHEMBL15758447 | 0.77 | FFAR1 (0.54) | CYP2A6CHRNB2CHRNA4CYP2C9CYP2B6 |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019151664-A1 | RTX TOXIN PRODUCTION INHIBITOR AND COMPOSITION FOR TREATING SYMPTOM OF VIBRIO INFECTION BY USING SAME | 서울대학교산학협력단 | 2019-08-08 | — | — | WO | disclosed |
| CN-101522674-B | Novel compounds, pharmaceutically acceptable salts as vanilloid receptor antagonist and pharmaceutical composition comprising the compounds | AMOREPACIFIC CORP | 2013-08-21 | — | — | CN | disclosed |
| EP-1425010-B8 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICALS INC (US) | 2012-03-28 | — | — | EP | disclosed |
| EP-1425010-B1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2011-10-26 | — | — | EP | disclosed |
| CN-101522674-A | Novel compounds, isomer thereof, or pharmaceutically acceptable salts thereof as vanilloid receptor antagonist | AMOREPACIFIC CORP (KR) | 2009-09-02 | — | — | CN | disclosed |
| EP-1425010-A4 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | ORTHO MCNEIL PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |
| US-20070219233-A1 | Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester | LU TIANBO | 2007-09-20 | — | — | US | disclosed |
| US-7241789-B2 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICAL, INC. (US) | 2007-07-10 | — | — | US | disclosed |
| WO-2006108040-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-10-12 | — | — | WO | disclosed |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2005-11-10 | — | — | US | disclosed |
| US-20050209225-A1 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2005-09-22 | — | — | US | disclosed |
| US-6855722-B2 | Substituted indoles and their use as integrin antagonists | DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2005-02-15 | — | — | US | disclosed |
| EP-1425010-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | Ortho-McNeil Pharmaceutical, Inc. (US) | 2004-06-09 | — | — | EP | disclosed |
| US-20020169200-A1 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-11-14 | — | — | US | disclosed |
| WO-2002060438-A1 | SUBSTITUTED INDOLES AND THEIR USE AS INTEGRIN ANTAGONISTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) | 2002-08-08 | — | — | 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-20070219233-A1 | Antitumor, antiinflammatory, antiarthritic agents, treating metastasis, restenosis, osteoporosis, macular degeneration, and diabetic retinopathy; 7-(2-{1-[1-(3-Benzyloxy-phenyl)-2-ethoxycarbonyl-vinyl]-1H-indol-5-yloxy}-ethyl)-3,4-dihydro-2H-[1,8]naphthyridine-1-carboxylic acid tert-butyl ester | ITGA5, ADGRE5, ITGAV | CYP2A6 3737/4885CHRNB2 1840/4885CHRNA4 687/4885 |
| US-20050209225-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | CYP2A6 3061/4885CHRNB2 696/4885CHRNA4 287/4885 |
| US-20020169200-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGAL, ITGA5 | CYP2A6 2932/4885CHRNB2 1082/4885CHRNA4 768/4885 |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | CYP2A6 2999/4885CHRNB2 665/4885CHRNA4 322/4885 |
“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.