Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 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 | |
|---|---|---|---|---|
| SCHEMBL3082762 | 0.72 | NPC1 (0.42) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4059081 | 0.66 | CYP1A2 (0.57) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9466116 | 0.65 | — | — | |
| Methoxymethane SCHEMBL27908243 | 0.64 | RAB9A (0.50) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL9465132 | 0.64 | CYP1A2 (0.32) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4059082 | 0.62 | MDM2 (0.41) | CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19 | |
| SCHEMBL4472253 | 0.62 | — | — | |
| SCHEMBL28934089 | 0.62 | — | — | |
| SCHEMBL9465108 | 0.61 | KDM4E (0.54) | CYP1A2CYP2C9CYP2C19NPC1RAB9A | |
| SCHEMBL9465345 | 0.61 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5246914-A | Fungicides and plant growth regulators | BASF AKTIENGESELLSCHAFT (DE) | 1993-09-21 | — | — | US | disclosed |