Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of 2-(Aminomethyl)Phenol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | ADAMTS5 | Q9UNA0 | 6/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | EPOR | P19235 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| 2-(Aminomethyl)Phenol SCHEMBL7801377 | 0.90 | EPOR (0.45) | NPC1RAB9AEPORKMT2AMAOA | |
| 2-(Aminomethyl)Phenol SCHEMBL8035202 | 0.90 | KMO (0.44) | KMOADAMTS5CYP3A4CYP2D6CYP3A5 | |
| 2-(Aminomethyl)Phenol SCHEMBL8035206 | 0.90 | KMO (0.44) | KMOADAMTS5CYP3A4CYP2D6CYP3A5 | |
| 2-(Aminomethyl)Phenol SCHEMBL7798293 | 0.86 | NPC1 (0.46) | NPC1RAB9AEPORKMT2ASMN1; SMN2 | |
| Lysine SCHEMBL7799063 | 0.86 | KMO (0.40) | KMOADAMTS5CYP3A4CYP2D6CYP3A5 | |
| Lysine SCHEMBL7799061 | 0.86 | KMO (0.40) | KMOADAMTS5CYP3A4CYP2D6CYP3A5 | |
| 2-(Aminomethyl)Phenol SCHEMBL8035732 | 0.82 | PARP10 (0.46) | NPC1RAB9AMAPTKMT2ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7802825 | 0.79 | KMO (0.44) | KMOADAMTS5CYP3A4CYP2D6CYP3A5 | |
| SCHEMBL413263 | 0.78 | ADAMTS5 (0.56) | KMOADAMTS5NPC1RAB9AGAA | |
| 2-(Aminomethyl)Phenol SCHEMBL8025682 | 0.77 | SLC1A5 (0.45) | NPC1RAB9AEPORKMT2ASMN1; 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-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |