Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | PPARA | Q07869 | 1/20 | 0.36 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.35 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | JAK2 | O60674 | 1/20 | 0.34 |
| ▸ | JAK3 | P52333 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | CHRNA2 | Q15822 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL852779 | 0.87 | ALDH1A1 (0.39) | KMT2ACHRNB2CHRNA4CYP2C9ALDH1A1 | |
| SCHEMBL852357 | 0.76 | CHRNB2 (0.38) | LMNAMEN1KMT2APAX8CHRNB2 | |
| SCHEMBL2491546 | 0.72 | PTGDR2 (0.47) | NPC1KMT2AKDM4ECYP2C9ALDH1A1 | |
| SCHEMBL20893408 | 0.71 | ALDH1A1 (0.44) | NPC1LMNAMEN1KMT2ACYP1A2 | |
| SCHEMBL13737107 | 0.71 | CHRNB2 (0.43) | CHRNB2CHRNA4CYP1A2ALDH1A1 | |
| SCHEMBL14995837 | 0.70 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2LMNAMEN1 | |
| SCHEMBL11918259 | 0.69 | ALDH1A1 (0.44) | MEN1KMT2AKDM4ECHRNB2CHRNA4 | |
| Lithium Ion SCHEMBL14995836 | 0.69 | NPC1 (0.38) | NPC1RAB9ASMN1; SMN2LMNAMEN1 | |
| SCHEMBL6830366 | 0.69 | NPSR1 (0.46) | MEN1KMT2AKDM4EALDH1A1MAOB | |
| SCHEMBL6121465 | 0.69 | GRM5 (0.49) | LMNAKMT2ACHRNB2CHRNA4CYP1A2 |
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 11 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 |
| 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 | NPC1 2607/4885RAB9A 392/4885SMN1; SMN2 3010/4885 |
| US-20050209225-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | NPC1 3329/4885RAB9A 919/4885SMN1; SMN2 3572/4885 |
| US-20020169200-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGAL, ITGA5 | NPC1 3833/4885RAB9A 758/4885SMN1; SMN2 3889/4885 |
| US-20050250771-A1 | Substituted indoles and their use as integrin antagonists | ITGAV, ITGA5, ITGB5 | NPC1 3502/4885RAB9A 880/4885SMN1; SMN2 3607/4885 |
“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.