Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.56 |
| ▸ | ITGB3 | P05106 | 7/20 | 0.54 |
| ▸ | ITGAV | P06756 | 7/20 | 0.54 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8524765 | 0.92 | AKR1C3 (0.54) | AKR1C3ITGB3ITGAVHTTSMN1; SMN2 | |
| SCHEMBL8526841 | 0.90 | AKR1C3 (0.54) | AKR1C3ITGB3ITGAVHTTSMN1; SMN2 | |
| SCHEMBL7863112 | 0.89 | ROCK1 (0.47) | AKR1C3ITGB3ITGAVHTTSMN1; SMN2 | |
| SCHEMBL8524766 | 0.86 | AKR1C3 (0.58) | AKR1C3ITGB3ITGAVHTTSMN1; SMN2 | |
| SCHEMBL8534047 | 0.85 | AKR1C3 (0.57) | AKR1C3ITGB3ITGAVHTTSMN1; SMN2 | |
| SCHEMBL8525720 | 0.81 | HDAC11 (0.44) | AKR1C3ITGB3ITGAVSMN1; SMN2NPC1 | |
| SCHEMBL8526505 | 0.79 | ROCK1 (0.46) | AKR1C3HTTSMN1; SMN2NPC1RAB9A | |
| SCHEMBL7861566 | 0.77 | ROCK2 (0.41) | ITGB3ITGAV | |
| SCHEMBL8534053 | 0.76 | HDAC11 (0.45) | AKR1C3ITGB3ITGAVHTTSMN1; SMN2 | |
| SCHEMBL8525722 | 0.75 | HDAC11 (0.46) | AKR1C3ITGB3ITGAVSMN1; SMN2NPC1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | claimed |
| EP-0889877-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1999-01-13 | — | — | EP | claimed |
| WO-1997036862-A1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | G.D. SEARLE & CO. (US) | 1997-10-09 | — | — | WO | claimed |
| EP-0889877-B1 | META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS | SEARLE & CO (US) | 2001-08-29 | — | — | EP | disclosed |