Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 4/20 | 0.33 |
| ▸ | MAOB | P27338 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CES1 | P23141 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | CTSG | P08311 | 1/20 | 0.31 |
| ▸ | CTRB1 | P17538 | 1/20 | 0.31 |
| ▸ | CMA1 | P23946 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8621299 | 0.81 | ALDH1A1 (0.42) | MAOAMAOBMAPK1HIF1ACES1 | |
| SCHEMBL8625967 | 0.80 | MAOA (0.36) | MAOAMAOBSMN1; SMN2MAPK1HIF1A | |
| SCHEMBL3752087 | 0.73 | MAOA (0.50) | MAOAMAOBSMN1; SMN2MAPK1CES1 | |
| SCHEMBL8623551 | 0.70 | MAOA (0.38) | MAOAMAOBSMN1; SMN2CES1ALDH1A1 | |
| SCHEMBL4342386 | 0.69 | ALDH1A1 (0.49) | SMN1; SMN2MAPK1HIF1ACES1ALDH1A1 | |
| SCHEMBL27591269 | 0.69 | MAOA (0.42) | MAOAMAOBMAPK1HIF1ACES1 | |
| SCHEMBL8624256 | 0.68 | MAOA (0.33) | MAOAMAOBSMN1; SMN2 | |
| SCHEMBL4828670 | 0.67 | MAOA (0.41) | MAOAMAOBSMN1; SMN2MAPK1ALDH1A1 | |
| SCHEMBL194628 | 0.67 | ALDH1A1 (0.44) | MAOAMAOBALDH1A1NPC1 | |
| SCHEMBL13295231 | 0.65 | MAOA (0.42) | MAOAMAOBSMN1; SMN2MAPK1ALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885684-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE BETA-2 ADRENERGIC RECEPTOR | Laboratorios Almirall, S.A. (ES) | 2008-02-13 | — | — | EP | disclosed |
| WO-2006122788-A1 | DERIVATIVES OF 4-(2-AMINO-1-HYDROXYETHYL)PHENOL AS AGONISTS OF THE β2 ADRENERGIC RECEPTOR | LABORATORIOS ALMIRALL, S.A. (ES) | 2006-11-23 | — | — | WO | disclosed |