Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.50 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.47 |
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | RAD52 | P43351 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1448749 | 0.96 | PTGS1 (0.53) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL11272789 | 0.84 | CYP1A2 (0.51) | CYP1A2RAB9AKDM4ENPC1PKM | |
| SCHEMBL6561661 | 0.81 | KDM4E (0.59) | CYP1A2CYP2A6KDM4ENPC1LMNA | |
| SCHEMBL13970023 | 0.80 | PTGS1 (0.47) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL8538723 | 0.79 | GLA (0.44) | CYP1A2AKR1C3AKR1C2RAB9AKDM4E | |
| SCHEMBL9428551 | 0.79 | CYP1A2 (0.55) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| 3-Methoxyphenylacetonitrile SCHEMBL103029 | 0.79 | PKM (0.61) | RAB9ANPC1LMNATP53CYP3A4 | |
| SCHEMBL11266053 | 0.79 | PIK3CD (0.40) | CYP1A2PTGS1AKR1C3AKR1C2RAB9A | |
| SCHEMBL10424390 | 0.79 | PTGS1 (0.57) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 | |
| SCHEMBL2222717 | 0.78 | CYP1A2 (0.61) | CYP1A2CYP2A6PTGS1AKR1C3AKR1C2 |
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 |