Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 4/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.40 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14047264 | 0.80 | CYP2A6 (0.44) | CYP2A6CYP3A4CYP11B2ALOX15ALDH1A1 | |
| SCHEMBL22328144 | 0.72 | TBXAS1 (0.48) | CYP2A6CYP3A4CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL8794680 | 0.71 | CYP2A6 (0.46) | CYP2A6CYP3A4CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL9035063 | 0.70 | CYP2A6 (0.48) | CYP2A6CYP3A4CYP11B2ALDH1A1RAB9A | |
| SCHEMBL4672270 | 0.69 | — | — | |
| SCHEMBL1444921 | 0.69 | — | — | |
| SCHEMBL4478683 | 0.69 | — | — | |
| SCHEMBL9946159 | 0.68 | RAB9A (0.44) | CYP2A6CYP3A4CYP11B2ALDH1A1CYP1A2 | |
| SCHEMBL3601299 | 0.68 | CYP2A6 (1.00) | CYP2A6CYP3A4CYP11B2CHRNB2CHRNA4 | |
| SCHEMBL158016 | 0.67 | CHRNB2 (0.59) | CYP2A6CYP11B2ALDH1A1CYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1891038-B1 | SUBSTITUTED N-ARYLPYRROLIDINES AS SELECTIVE ANDROGEN RECEPTOR MODULATORS | LILLY CO ELI (US) | 2008-10-29 | — | — | EP | disclosed |