Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 2/20 | 0.39 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.39 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.39 |
| ▸ | NQO1 | P15559 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 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 |
| ▸ | UGT2B7 | P16662 | 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 SCHEMBL8009297 | 0.98 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1L3MBTL1MEN1 | |
| SCHEMBL27905831 | 0.75 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1NQO2ALDH1A1 | |
| SCHEMBL11755535 | 0.74 | CYP2A6 (0.52) | CYP2A6CYP1A2TDP1NQO2ALDH1A1 | |
| SCHEMBL21805111 | 0.71 | — | — | |
| SCHEMBL1452182 | 0.70 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1NQO2ALDH1A1 | |
| SCHEMBL5311432 | 0.67 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1L3MBTL1MEN1 | |
| SCHEMBL112792 | 0.67 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1L3MBTL1MEN1 | |
| SCHEMBL29353188 | 0.67 | CYP1A2 (1.00) | CYP2A6CYP1A2TDP1L3MBTL1MEN1 | |
| Naphthalene SCHEMBL2263115 | 0.66 | CYP2A6 (0.67) | CYP2A6CYP1A2TDP1ALDH1A1CYP3A4 | |
| Naphthalene SCHEMBL8679262 | 0.66 | CYP2A6 (0.67) | CYP2A6CYP1A2TDP1NQO2CDK5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0973714-A2 | PRODUCTION OF RACEMIC 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID OR PRECURSORS THEREOF | ALBEMARLE CORPORATION (US) | 2000-01-26 | — | — | EP | disclosed |
| WO-1998030528-A2 | PRODUCTION OF RACEMIC 2-(6-METHOXY-2-NAPHTHYL)PROPIONIC ACID OR PRECURSORS THEREOF | ALBEMARLE CORPORATION (US) | 1998-07-16 | — | — | WO | disclosed |