Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.52 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.45 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL105975 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1AGXTGPR52 | |
| SCHEMBL713023 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1AGXTGPR52 | |
| P-Xylene SCHEMBL11767119 | 0.80 | CYP1A2 (0.48) | CYP1A2CYP2A6TAAR1AGXTGPR52 | |
| SCHEMBL1083206 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1AGXTGPR52 | |
| SCHEMBL19031453 | 0.78 | GPR52 (0.49) | CYP1A2CYP2A6TAAR1AGXTGPR52 | |
| SCHEMBL692019 | 0.78 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1AGXTGPR52 | |
| SCHEMBL6014368 | 0.77 | GPR52 (0.50) | CYP2A6TAAR1GPR52ALOX15ALDH1A1 | |
| SCHEMBL6014364 | 0.77 | GPR52 (0.50) | CYP2A6TAAR1GPR52ALOX15ALDH1A1 | |
| SCHEMBL11395333 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1AGXTGPR52 | |
| SCHEMBL11401405 | 0.77 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1AGXTGPR52 |
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-5274080-A | Binds to a urea-containing hapten | MERCK & CO., INC. (US) | 1993-12-28 | — | — | US | disclosed |