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 | |
|---|---|---|---|---|
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 SCHEMBL8035732 | 0.84 | PARP10 (0.46) | SMN1; SMN2LMNAMAPTALDH1A1L3MBTL1 | |
| Lysine SCHEMBL7793338 | 0.84 | ITGB3 (0.45) | PPARASMN1; SMN2LMNAMAPTALDH1A1 | |
| Lysine SCHEMBL7793333 | 0.84 | ITGB3 (0.45) | PPARASMN1; SMN2LMNAMAPTALDH1A1 | |
| SCHEMBL7802629 | 0.78 | MAPT (0.46) | SMN1; SMN2LMNAMAPTALDH1A1HPGD | |
| Benzene SCHEMBL28241675 | 0.78 | ALDH1A1 (0.64) | SMN1; SMN2LMNAMAPTALDH1A1HPGD | |
| SCHEMBL7793081 | 0.77 | ALDH1A1 (0.51) | SMN1; SMN2LMNAMAPTALDH1A1HPGD | |
| Cyclohexylamine SCHEMBL7792667 | 0.75 | ALDH1A1 (0.45) | SMN1; SMN2LMNAMAPTALDH1A1HPGD | |
| SCHEMBL541949 | 0.75 | ALDH1A1 (0.68) | SMN1; SMN2LMNAMAPTALDH1A1HPGD | |
| SCHEMBL14134159 | 0.75 | ALDH1A1 (0.68) | SMN1; SMN2LMNAMAPTALDH1A1HPGD | |
| 2-(Aminomethyl)Phenol SCHEMBL7801377 | 0.74 | EPOR (0.45) | KMT2AMEN1PTGS1PTGS2NPC1 |
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 |