Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.54 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.53 |
| ▸ | ITGAV | P06756 | 5/20 | 0.53 |
| ▸ | HTT | P42858 | 3/20 | 0.48 |
| ▸ | NPC1 | O15118 | 2/20 | 0.48 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | MMP2 | P08253 | 1/20 | 0.45 |
| ▸ | MMP9 | P14780 | 1/20 | 0.45 |
| ▸ | MMP8 | P22894 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.44 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7863185 | 0.92 | AKR1C3 (0.56) | AKR1C3ITGB3ITGAVHTTNPC1 | |
| SCHEMBL8525720 | 0.89 | HDAC11 (0.44) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL8524766 | 0.84 | AKR1C3 (0.58) | AKR1C3ITGB3ITGAVHTTNPC1 | |
| SCHEMBL8526841 | 0.82 | AKR1C3 (0.54) | AKR1C3ITGB3ITGAVHTTNPC1 | |
| SCHEMBL7863112 | 0.81 | ROCK1 (0.47) | AKR1C3ITGB3ITGAVHTTNPC1 | |
| SCHEMBL8534047 | 0.80 | AKR1C3 (0.57) | AKR1C3ITGB3ITGAVHTTNPC1 | |
| SCHEMBL8524575 | 0.77 | LMNA (0.42) | ITGB3ITGAVNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL8525722 | 0.74 | HDAC11 (0.46) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL13002087 | 0.73 | AKR1C3 (0.73) | AKR1C3ITGB3ITGAVHTTNPC1 | |
| SCHEMBL29624703 | 0.72 | AKR1C3 (0.77) | AKR1C3HTTNPC1RAB9ASMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |