Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.39 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.35 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.35 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL12729958 | 0.87 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CYP2B6TSHRACHE | |
| SCHEMBL14865915 | 0.87 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CYP2B6TSHRACHE | |
| SCHEMBL18923423 | 0.72 | CYP2A6 (0.40) | ALDH1A1CYP2A6CYP2B6TSHRACHE | |
| SCHEMBL10879528 | 0.71 | ALDH1A1 (0.47) | ALDH1A1CYP2A6CYP2B6LMNACYP1A2 | |
| SCHEMBL24186376 | 0.69 | ALDH1A1 (0.38) | ALDH1A1CYP2A6CYP2B6LMNACYP1A2 | |
| SCHEMBL11338047 | 0.67 | ALDH1A1 (0.43) | ALDH1A1CYP2A6CYP2B6LMNACYP1A2 | |
| Biphenyl SCHEMBL1072001 | 0.65 | ALDH1A1 (0.69) | ALDH1A1TSHRACHELMNAALOX12 | |
| Biphenyl SCHEMBL653702 | 0.64 | ALDH1A1 (0.82) | ALDH1A1TSHRACHELMNAALOX12 | |
| Biphenyl SCHEMBL7930008 | 0.63 | ACHE (0.79) | ALDH1A1TSHRACHELMNAALOX12 | |
| SCHEMBL31438453 | 0.63 | ALDH1A1 (0.44) | ALDH1A1CYP2A6CYP2B6LMNACYP1A2 |
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-4265807-A | TO INCREASE ITS OXIDATION RESISTANCE | HERCULES INCORPORATED (US) | 1981-05-05 | — | — | US | disclosed |