Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.58 |
| ▸ | ITGB3 | P05106 | 4/20 | 0.56 |
| ▸ | ITGAV | P06756 | 4/20 | 0.56 |
| ▸ | NPC1 | O15118 | 6/20 | 0.51 |
| ▸ | RAB9A | P51151 | 6/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | HTT | P42858 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.45 |
| ▸ | DDX3X | O00571 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | ADORA2A | P29274 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8525722 | 0.88 | HDAC11 (0.46) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL7863185 | 0.86 | AKR1C3 (0.56) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL8524765 | 0.84 | AKR1C3 (0.54) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL8534047 | 0.80 | AKR1C3 (0.57) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL8526841 | 0.76 | AKR1C3 (0.54) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL8524582 | 0.76 | ROCK2 (0.40) | ITGB3ITGAVLMNAALDH1A1MEN1 | |
| SCHEMBL7863112 | 0.75 | ROCK1 (0.47) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL13002087 | 0.75 | AKR1C3 (0.73) | AKR1C3ITGB3ITGAVNPC1RAB9A | |
| SCHEMBL29624703 | 0.75 | AKR1C3 (0.77) | AKR1C3NPC1RAB9ASMN1; SMN2HTT | |
| SCHEMBL20096686 | 0.75 | AKR1C3 (0.77) | AKR1C3NPC1RAB9ASMN1; SMN2HTT |
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 |