Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.51 |
| ▸ | DRD3 | P35462 | 4/20 | 0.51 |
| ▸ | DRD4 | P21917 | 2/20 | 0.51 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.38 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31308059 | 0.77 | OPRM1 (0.46) | CYP1A2OPRM1DRD3DRD4KCNN4 | |
| SCHEMBL5642972 | 0.77 | KMT2A (0.57) | CYP1A2OPRM1DRD3DRD4KCNN4 | |
| SCHEMBL409760 | 0.77 | CYP1A2 (0.61) | CYP1A2KCNN4TSHRKMT2AMAPT | |
| SCHEMBL6073343 | 0.77 | OPRM1 (0.53) | CYP1A2OPRM1DRD3DRD4KCNN4 | |
| SCHEMBL10814384 | 0.77 | OPRM1 (0.53) | CYP1A2OPRM1DRD3DRD4KCNN4 | |
| SCHEMBL375036 | 0.77 | OPRM1 (0.53) | OPRM1DRD3DRD4KCNN4DRD2 | |
| SCHEMBL14655085 | 0.76 | CYP1A2 (0.67) | CYP1A2KCNN4TSHRKMT2AMAPT | |
| SCHEMBL16158180 | 0.75 | OPRM1 (0.51) | OPRM1DRD3DRD4KCNN4DRD2 | |
| SCHEMBL27835792 | 0.75 | CYP1A2 (0.73) | CYP1A2KCNN4TSHRKMT2AMAPT | |
| SCHEMBL41202 | 0.75 | CYP1A2 (1.00) | CYP1A2KCNN4TSHRKMT2AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006136823-A1 | HETEROCYCLIC CONTAINING AMINES AS KINASE B INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-12-28 | — | — | WO | disclosed |
| US-3978069-A | FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-31 | — | — | US | disclosed |