Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.34 |
| ▸ | ACSL1 | P33121 | 1/20 | 0.33 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL11578024 | 0.84 | KDM4E (0.36) | MAOBPTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL11577633 | 0.83 | PTGS1 (0.37) | MAOBPTGS2KDM4EALDH1A1HPGD | |
| SCHEMBL8393506 | 0.82 | MAOA (0.59) | MAOAMAOBPTGS2ALDH1A1NPC1 | |
| SCHEMBL4427203 | 0.78 | MAOA (0.61) | MAOAMAOBBCHECES1KDM4E | |
| SCHEMBL10844098 | 0.78 | AHR (0.49) | MAOAMAOBBCHECES1KDM4E | |
| SCHEMBL5642473 | 0.78 | MAOB (0.48) | MAOAMAOBBCHECES1KDM4E | |
| SCHEMBL2375779 | 0.78 | HPGD (0.52) | MAOAMAOBKDM4EALDH1A1HPGD | |
| SCHEMBL19820969 | 0.77 | MAOA (0.44) | MAOAMAOBBCHECES1KDM4E | |
| SCHEMBL14598854 | 0.77 | MAOA (0.44) | MAOAMAOBPTGS2BCHECES1 | |
| SCHEMBL9740236 | 0.76 | MAOA (0.43) | MAOAMAOBPTGS2BCHECES1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5140027-A | Antidepressants, analgesics and anticonvulsants | HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) | 1992-08-18 | — | — | US | disclosed |
| US-4943571-A | ANALGESICS, ANTICONVULSANTS, ANTIDEPRESSANTS | HOECHST-ROUSSEL PHAMRACEUTICALS INC. (US) | 1990-07-24 | — | — | US | disclosed |
| US-4837227-A | ANALGESICS, ANTIDEPRESSANTS | HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) | 1989-06-06 | — | — | US | disclosed |
| EP-0002508-B1 | AMINOALKYLTHIODIBENZOXEPINES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-03-31 | — | — | EP | disclosed |
| EP-0002508-A1 | Aminoalkylthiodibenzoxepines, their preparation and pharmaceutical compositions containing them | HOECHST AKTIENGESELLSCHAFT (DE) | 1979-06-27 | — | — | EP | disclosed |