Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | LPL | P06858 | 1/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11444196 | 1.00 | CYP2A6 (0.42) | CYP2A6TAAR1ALDH1A1KDM4EHPGD | |
| SCHEMBL11438200 | 1.00 | CYP2A6 (0.42) | CYP2A6TAAR1ALDH1A1KDM4EHPGD | |
| SCHEMBL11444236 | 0.89 | LPL (0.40) | ALDH1A1KDM4EHPGDKMT2AL3MBTL1 | |
| SCHEMBL11451056 | 0.89 | LPL (0.40) | ALDH1A1KDM4EHPGDKMT2AL3MBTL1 | |
| SCHEMBL11438178 | 0.89 | LPL (0.40) | ALDH1A1KDM4EHPGDKMT2AL3MBTL1 | |
| SCHEMBL11451067 | 0.86 | FFAR1 (0.44) | CYP2A6TAAR1ALDH1A1L3MBTL1GPR84 | |
| SCHEMBL11444193 | 0.86 | FFAR1 (0.44) | CYP2A6TAAR1ALDH1A1L3MBTL1GPR84 | |
| SCHEMBL11437178 | 0.86 | FFAR1 (0.44) | CYP2A6TAAR1ALDH1A1L3MBTL1GPR84 | |
| SCHEMBL17629448 | 0.84 | ALDH1A1 (0.50) | ALDH1A1KDM4EKMT2AL3MBTL1SMN1; SMN2 | |
| SCHEMBL111451 | 0.84 | ALDH1A1 (0.50) | ALDH1A1KDM4EKMT2AL3MBTL1SMN1; SMN2 |
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-4193934-A | PERFUMES | HAARMANN & REIMER GMBH (DE) | 1980-03-18 | — | — | US | disclosed |