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 | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | EPOR | P19235 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TTR | P02766 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
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 | 0.93 | EPOR (0.45) | NPC1RAB9ABACE1MAOBMAOA | |
| 2-(Aminomethyl)Phenol SCHEMBL8025682 | 0.90 | SLC1A5 (0.45) | NPC1RAB9ATDP1BACE1MAOB | |
| 2-(Aminomethyl)Phenol SCHEMBL8025681 | 0.90 | SLC1A5 (0.45) | NPC1RAB9ATDP1BACE1MAOB | |
| Glycine SCHEMBL8204567 | 0.89 | NPC1 (0.56) | NPC1RAB9ATDP1BACE1MAOB | |
| 2-(Aminomethyl)Phenol SCHEMBL8041391 | 0.86 | KMO (0.47) | NPC1RAB9ABACE1MAOBMAOA | |
| Lysine SCHEMBL7802021 | 0.86 | SLC1A5 (0.46) | NPC1RAB9ATDP1BACE1EPOR | |
| Lysine SCHEMBL7802016 | 0.86 | SLC1A5 (0.46) | NPC1RAB9ATDP1BACE1EPOR | |
| 2-(Aminomethyl)Phenol SCHEMBL8035732 | 0.85 | PARP10 (0.46) | NPC1RAB9AMAOBALDH1A1KDM4E | |
| SCHEMBL7798169 | 0.81 | NPC1 (0.63) | NPC1RAB9ATDP1MAOBMAOA | |
| Glycine SCHEMBL7801464 | 0.80 | NPC1 (0.55) | NPC1RAB9ATDP1MAOBMAOA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| 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 |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |