Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | SPR | P35270 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR2A | P28223 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | HTR1D | P28221 | 1/20 | 0.47 |
| ▸ | HTR1B | P28222 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | THRA | P10827 | 2/20 | 0.47 |
| ▸ | THRB | P10828 | 2/20 | 0.47 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6278298 | 0.85 | THRA (0.46) | THRATHRB | |
| SCHEMBL6190684 | 0.82 | PKM (0.56) | GAACYP2C9HTR2AHTR2CHTR2B | |
| SCHEMBL31458574 | 0.82 | PKM (0.56) | GAACYP2C9HTR2AHTR2CHTR2B | |
| SCHEMBL2494144 | 0.81 | HTR2C (0.52) | SPRNFKB1CYP2C9HTR1AHTR2A | |
| SCHEMBL8633325 | 0.81 | HDAC3 (0.51) | — | |
| SCHEMBL6267279 | 0.80 | MTNR1A (0.51) | HTR2AHTR2CHTR2BHTR1BTHRA | |
| SCHEMBL6267434 | 0.80 | THRA (0.49) | THRATHRB | |
| SCHEMBL6219955 | 0.80 | TRPM8 (0.60) | HTR1DALDH1A1LMNAHPGDKDM4E | |
| SCHEMBL853777 | 0.78 | GAA (0.43) | GAASPRNFKB1CYP2C9HTR1A | |
| SCHEMBL853940 | 0.77 | GAA (0.49) | GAANFKB1CYP2C9CYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2005-11-10 | — | — | US | disclosed |
| EP-1581521-A1 | FUSED HETEROCYCLIC DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-05 | — | — | EP | disclosed |
| EP-1581491-A1 | INDOLE DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-05 | — | — | EP | 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 |
| WO-2004092131-A1 | INDOLE DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-10-28 | — | — | WO | disclosed |
| WO-2004063190-A1 | FUSED HETEROCYCLIC DERIVATES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2004-07-29 | — | — | WO | 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 | GAA 4469/4885SPR 3282/4885NFKB1 67/4885 |
| US-20050209225-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | GAA 4743/4885SPR 1112/4885NFKB1 876/4885 |
| US-20020169200-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGAL, ITGA5 | GAA 4739/4885SPR 994/4885NFKB1 1310/4885 |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | GAA 4749/4885SPR 1132/4885NFKB1 899/4885 |
“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.