Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | COMT | P21964 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4910358 | 0.80 | KDM4E (0.35) | KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7752685 | 0.74 | ALDH1A1 (0.40) | KDM4EKMT2AMEN1GPR52CHRM3 | |
| SCHEMBL4887210 | 0.73 | KDM4E (0.48) | KDM4EHSP90AA1ALDH1A1CYP3A4MAPK1 | |
| SCHEMBL7755239 | 0.72 | CHRM3 (0.38) | KMT2AMEN1GPR52CHRM3ALDH1A1 | |
| SCHEMBL4902287 | 0.71 | CYP19A1 (0.46) | KMT2AACSS2L3MBTL1CYP3A4 | |
| SCHEMBL19857578 | 0.68 | COMT (0.35) | KMT2ASMN1; SMN2NPC1ALDH1A1RAB9A | |
| SCHEMBL29140377 | 0.67 | KDM4E (0.44) | KDM4EKMT2AMEN1SMN1; SMN2ALDH1A1 | |
| SCHEMBL4909153 | 0.67 | CNR1 (0.38) | KMT2AMEN1SMN1; SMN2ALDH1A1L3MBTL1 | |
| SCHEMBL10630760 | 0.67 | KCNA5 (0.51) | KMT2AMEN1CYP3A4 | |
| SCHEMBL28395509 | 0.67 | L3MBTL1 (0.52) | KDM4EKMT2AMEN1CHRM3SMN1; 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-0289380-B1 | Aryl-heteroaryl-carbinol derivatives having an analgesic activity | ESTEVE LABOR DR (ES) | 1994-12-28 | — | — | EP | claimed |
| US-5017596-A | Arylpyrazolylcarbinol compounds with analgesic activity | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 1991-05-21 | — | — | US | claimed |