Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 4/20 | 0.60 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.60 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.60 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.60 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.60 |
| ▸ | SPR | P35270 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.57 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.57 |
| ▸ | HTR2C | P28335 | 5/20 | 0.57 |
| ▸ | HTR1D | P28221 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.56 |
| ▸ | HTR1A | P08908 | 3/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6220357 | 0.92 | CYP2D6 (0.71) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6222377 | 0.91 | CYP2D6 (0.66) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL15245742 | 0.88 | SMN1; SMN2 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL5177499 | 0.86 | PKM (0.68) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL852680 | 0.86 | NPSR1 (0.64) | CYP2D6CYP1A2CYP3A4CYP2C9SPR | |
| SCHEMBL13041745 | 0.86 | MTNR1A (0.58) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4619391 | 0.85 | CYP2D6 (0.64) | CYP2D6CYP1A2CYP3A4NPSR1KDM4E | |
| SCHEMBL392573 | 0.82 | SMN1; SMN2 (0.85) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL4347613 | 0.82 | NQO2 (0.61) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7838196 | 0.81 | SMN1; SMN2 (0.57) | CYP2D6CYP1A2CYP3A4CYP2C9CYP2C19 |
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-1581491-A1 | INDOLE DERIVATIVES AS PPAR MODULATORS | ELI LILLY AND COMPANY (US) | 2005-10-05 | — | — | EP | disclosed |
| EP-1581521-A1 | FUSED HETEROCYCLIC 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 | CYP2D6 3239/4885CYP1A2 4113/4885CYP3A4 3202/4885 |
| US-20050209225-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | CYP2D6 2523/4885CYP1A2 2777/4885CYP3A4 1864/4885 |
| US-20020169200-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGAL, ITGA5 | CYP2D6 2465/4885CYP1A2 3322/4885CYP3A4 2639/4885 |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | CYP2D6 2524/4885CYP1A2 2655/4885CYP3A4 1876/4885 |
“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.