Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.41 |
| ▸ | CYP17A1 | P05093 | 3/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | PDE4A | P27815 | 1/20 | 0.39 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.39 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11286300 | 0.98 | CYP3A4 (0.43) | CYP3A4TAAR1CYP17A1CYP2C9CYP2C19 | |
| SCHEMBL20408459 | 0.84 | CYP3A4 (0.46) | CYP3A4CYP17A1CYP2C9CYP2C19PDE4A | |
| SCHEMBL557886 | 0.84 | KDM4E (0.47) | TAAR1KDM4EATM | |
| SCHEMBL13335867 | 0.80 | CYP3A4 (0.50) | CYP3A4CYP17A1CYP2C9CYP2C19PDE4A | |
| Hydrochloric Acid SCHEMBL11284987 | 0.79 | CA12 (0.42) | CYP3A4TAAR1CYP2C19KDM4E | |
| SCHEMBL6823155 | 0.78 | TAAR1 (0.57) | CYP3A4TAAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL11280093 | 0.77 | TAAR1 (0.42) | CYP3A4TAAR1 | |
| Hydrochloric Acid SCHEMBL8508446 | 0.77 | TAAR1 (0.42) | CYP3A4TAAR1KDM4EATM | |
| SCHEMBL31347506 | 0.77 | GAA (0.50) | CYP3A4TAAR1PDE4APDE4BPDE4C | |
| Hydrochloric Acid SCHEMBL7860072 | 0.77 | TAAR1 (0.55) | CYP3A4TAAR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4327022-A | Heterocyclic alkyl naphthols | STERLING DRUG INC. (US) | 1982-04-27 | — | — | US | disclosed |
| US-4169108-A | 5(OR 6)-[(Substituted-amino)alkyl]-2,3-naphthalenediols | STERLING DRUG INC. (US) | 1979-09-25 | — | — | US | disclosed |