Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | VDR | P11473 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 2/20 | 0.37 |
| ▸ | AR | P10275 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL11637311 | 0.85 | KMT2A (0.47) | CA12CYP1A2CYP3A4CA9ALDH1A1 | |
| SCHEMBL16835 | 0.81 | KMT2A (0.44) | CA12CYP1A2CYP3A4CA9ALDH1A1 | |
| SCHEMBL7849587 | 0.81 | KMT2A (0.50) | CA12CYP3A4CA9ALDH1A1GAA | |
| SCHEMBL30140023 | 0.80 | KMT2A (0.42) | CYP3A4ALDH1A1GAASMN1; SMN2KMT2A | |
| SCHEMBL18047923 | 0.79 | SMN1; SMN2 (0.46) | CA12CYP1A2CYP3A4CA9ALDH1A1 | |
| SCHEMBL18334492 | 0.79 | KMT2A (0.41) | CYP3A4ALDH1A1GAASMN1; SMN2KMT2A | |
| SCHEMBL18218 | 0.79 | KMT2A (0.47) | CA12CYP3A4CA9ALDH1A1GAA | |
| SCHEMBL30200580 | 0.78 | ALDH1A1 (0.43) | ATMALDH1A1GAASMN1; SMN2KMT2A | |
| SCHEMBL17442 | 0.77 | KMT2A (0.46) | CA12CYP3A4CA9ALDH1A1GAA | |
| SCHEMBL29906344 | 0.77 | SMN1; SMN2 (0.42) | CA12CYP1A2CYP3A4CA9ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5194437-A | Substituted with oxygen containing heterocycle, central nervous system disorders, neuroendocrine disorders | ADIR ET COMPAGNIE (FR) | 1993-03-16 | — | — | US | disclosed |
| US-5173490-A | Antipsychotic drugs having no side effects; anxiolytic agents; analgesics; tranquilizers; sedatives; antidepressants | ADIR ET COMPAGNIE (FR) | 1992-12-22 | — | — | US | disclosed |