Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | PNMT | P11086 | 2/20 | 0.47 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.45 |
| ▸ | DAO | P14920 | 2/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29566831 | 0.90 | TAAR1 (0.63) | TAAR1PNMTAOC3HTR3EHTR3B | |
| SCHEMBL177421 | 0.90 | TAAR1 (0.63) | TAAR1PNMTAOC3HTR3EHTR3B | |
| SCHEMBL27599728 | 0.85 | PNMT (0.50) | TAAR1PNMTHTR3EHTR3BHTR3A | |
| SCHEMBL27808159 | 0.81 | TAAR1 (0.53) | TAAR1TDP1IDO1AGXT | |
| SCHEMBL3257448 | 0.79 | TAAR1 (0.55) | TAAR1PNMTAOC3HTR3EHTR3B | |
| SCHEMBL79458 | 0.79 | TAAR1 (0.59) | TAAR1PNMTAOC3HTR3EHTR3B | |
| SCHEMBL9475163 | 0.78 | TDP1 (0.73) | TAAR1TDP1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL27755219 | 0.78 | HTR6 (0.45) | TDP1ALDH1A1AKR1C3 | |
| SCHEMBL12050856 | 0.77 | TAAR1 (0.74) | TAAR1PNMTAOC3HTR3EHTR3B | |
| SCHEMBL27360532 | 0.77 | PNMT (0.50) | TAAR1PNMTAOC3HTR3EHTR3B |
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 |
|---|---|---|---|---|---|---|---|
| CN-1658877-B | Basic non-peptide bradykinin antagonists and pharmaceutical compositions therefrom | MENARINI RICERCHE SPA | 2010-04-28 | — | — | CN | disclosed |