Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | DAO | P14920 | 2/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | ITGB2 | P05107 | 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 | |
|---|---|---|---|---|
| SCHEMBL60689 | 0.96 | — | — | |
| SCHEMBL30253511 | 0.93 | CYP2A6 (0.47) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| SCHEMBL27384288 | 0.93 | — | — | |
| SCHEMBL30505849 | 0.93 | CYP2A6 (0.47) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| SCHEMBL29649306 | 0.93 | CYP2A6 (0.47) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| SCHEMBL28644224 | 0.93 | CYP2A6 (0.47) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL2434708 | 0.93 | CYP2A6 (0.47) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Biphenyl SCHEMBL27758183 | 0.91 | ALDH1A1 (0.53) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Hydrochloric Acid SCHEMBL27365162 | 0.90 | CYP2A6 (0.44) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 | |
| Fluoride SCHEMBL30505845 | 0.90 | CYP2A6 (0.44) | CYP2A6ALOX12ALDH1A1HSD17B10TDP1 |
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-6294635-B1 | CONTAINING PALLADIUM COMPOUND HEAT STABILIZER; HEAT RESISTANCE | WACKER-CHEMIE GMBH (DE) | 2001-09-25 | — | — | US | disclosed |