Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | SLC2A1 | P11166 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 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 | |
|---|---|---|---|---|
| SCHEMBL7250141 | 0.82 | SLC2A1 (0.49) | TSHRCYP1A2CYP2A6ALDH1A1SLC2A1 | |
| SCHEMBL23013967 | 0.81 | CYP1A2 (0.61) | CYP1A2ALDH1A1HSD17B10CYP2C9CYP2C19 | |
| SCHEMBL10994136 | 0.80 | CYP1A2 (0.38) | TSHRCYP1A2CYP2A6ALDH1A1SLC2A1 | |
| SCHEMBL31079125 | 0.79 | ALDH1A1 (0.44) | TSHRCYP1A2CYP2A6ALDH1A1SLC2A1 | |
| SCHEMBL1702486 | 0.79 | CTRB1 (0.47) | TSHRCYP1A2ALDH1A1SLC2A1HSD17B10 | |
| SCHEMBL4007056 | 0.77 | ALDH1A1 (0.40) | TSHRCYP1A2CYP2A6ALDH1A1HSD17B10 | |
| Sulfuric Acid SCHEMBL29472176 | 0.76 | HSD17B10 (0.46) | TSHRCYP1A2CYP2A6ALDH1A1SLC2A1 | |
| SCHEMBL5898023 | 0.76 | TSHR (0.54) | TSHRCYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL2608796 | 0.76 | CYP1A2 (0.54) | TSHRCYP1A2CYP2A6ALDH1A1HSD17B10 | |
| SCHEMBL10088204 | 0.75 | KDM4E (0.50) | ALDH1A1HSD17B10KMT2AKDM4EGAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4910212-A | Containing 1,2,4-triazole or imidazole ring | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-03-20 | — | — | US | disclosed |
| EP-0281283-A1 | Heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-09-07 | — | — | EP | disclosed |
| US-4469516-A | Pigment preparations; process for their manufacture and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1984-09-04 | — | — | US | disclosed |