Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B10 | O60218 | 1/20 | 0.39 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR6 | P50406 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 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 | |
|---|---|---|---|---|
| SCHEMBL11190369 | 0.92 | AKR1B10 (0.43) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| SCHEMBL11188710 | 0.92 | AKR1B10 (0.41) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| Hydrochloric Acid SCHEMBL11195539 | 0.91 | AKR1B10 (0.40) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| SCHEMBL11183280 | 0.90 | CYP3A4 (0.41) | CYP3A4TSHRLMNANR1I2CYP1A2 | |
| SCHEMBL11180471 | 0.89 | MEN1 (0.40) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| SCHEMBL11186857 | 0.88 | AKR1B10 (0.39) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| SCHEMBL11182485 | 0.87 | HRH2 (0.35) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| SCHEMBL11187131 | 0.87 | HTR1A (0.40) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| SCHEMBL11177134 | 0.86 | TSHR (0.41) | AKR1B10AKR1A1AKR1B1CYP3A4TSHR | |
| SCHEMBL11182845 | 0.85 | PDE5A (0.39) | CYP3A4TSHRLMNANR1I2CYP1A2 |
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-4367230-A | ANTIANOXIC AGENTS | TANABE SEIYAKU CO., LTD. (JP) | 1983-01-04 | — | — | US | disclosed |