Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.46 |
| ▸ | SLC18A3 | Q16572 | 4/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | SLC5A1 | P13866 | 1/20 | 0.37 |
| ▸ | SLC5A2 | P31639 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18584919 | 0.86 | AKR1C3 (0.46) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP3A4 | |
| SCHEMBL2030780 | 0.79 | AKR1C3 (0.50) | AKR1C3AKR1C1SLC18A3SIGMAR1LMNA | |
| SCHEMBL13718761 | 0.79 | SLC18A3 (0.45) | AKR1C3AKR1C1SLC18A3SIGMAR1 | |
| SCHEMBL14652199 | 0.79 | AKR1C3 (0.42) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP3A4 | |
| SCHEMBL14310592 | 0.79 | AKR1C3 (0.42) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP3A4 | |
| Hydrochloric Acid SCHEMBL81099 | 0.78 | AKR1C3 (0.49) | AKR1C3AKR1C1SLC18A3SIGMAR1LMNA | |
| SCHEMBL7128350 | 0.77 | AKR1C3 (0.50) | AKR1C3AKR1C1SLC18A3SIGMAR1LMNA | |
| SCHEMBL8029813 | 0.74 | SLC18A3 (0.56) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP3A4 | |
| SCHEMBL26999319 | 0.74 | SLC18A3 (0.56) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP3A4 | |
| SCHEMBL8029809 | 0.74 | SLC18A3 (0.56) | AKR1C3AKR1C1SLC18A3SIGMAR1CYP3A4 |
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-8791257-B2 | Substituted pyrrolotriazines as protein kinase inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-07-29 | — | — | US | disclosed |