Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 9/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 9/20 | 1.00 |
| ▸ | CYP1B1 | Q16678 | 9/20 | 1.00 |
| ▸ | CYP3A4 | P08684 | 7/20 | 1.00 |
| ▸ | CYP2D6 | P10635 | 5/20 | 1.00 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 1/20 | 0.60 |
| ▸ | NPC1 | O15118 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 1/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.60 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.59 |
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 | |
|---|---|---|---|---|
| SCHEMBL9475867 | 0.90 | CYP1B1 (1.00) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL9475860 | 0.90 | CYP1B1 (1.00) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL17233366 | 0.89 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL17232027 | 0.87 | CYP1B1 (1.00) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL3392493 | 0.87 | CYP1B1 (1.00) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL17232206 | 0.86 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL657323 | 0.84 | MEN1 (0.78) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL657322 | 0.84 | MEN1 (0.78) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL7169374 | 0.84 | CYP1A1 (1.00) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 | |
| SCHEMBL17708824 | 0.81 | CYP1A1 (0.78) | CYP1A1CYP1A2CYP1B1CYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2015166043-A1 | COMPOUNDS | DE MONTFORT UNIVERSITY (GB) | 2015-11-05 | — | — | WO | disclosed |