Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA3 | P07451 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA6 | P23280 | 1/20 | 0.43 |
| ▸ | CA5A | P35218 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | PTAFR | P25105 | 1/20 | 0.43 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.43 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL4622007 | 0.82 | CA1 (0.50) | KDM4ECA12ALDH1A1CA1HPGD | |
| SCHEMBL4622000 | 0.82 | CA1 (0.50) | KDM4ECA12ALDH1A1CA1HPGD | |
| SCHEMBL4622004 | 0.82 | CA1 (0.50) | KDM4ECA12ALDH1A1CA1HPGD | |
| SCHEMBL11162641 | 0.81 | HTR2C (0.50) | KDM4EALDH1A1CA1HPGDCA7 | |
| SCHEMBL31255971 | 0.80 | CA12 (0.48) | KDM4ECA12ALDH1A1CA1HPGD | |
| SCHEMBL30717243 | 0.80 | SLC6A4 (0.45) | CYP2A6CYP1A2KDM4ESLC6A2SLC6A4 | |
| SCHEMBL5852700 | 0.80 | SLC6A4 (0.45) | CYP2A6CYP1A2KDM4ESLC6A2SLC6A4 | |
| SCHEMBL845627 | 0.80 | SLC6A4 (0.45) | CYP2A6CYP1A2KDM4ESLC6A2SLC6A4 | |
| SCHEMBL15446338 | 0.76 | BACE1 (0.46) | CYP2A6CYP1A2KDM4EALDH1A1HPGD | |
| SCHEMBL29447161 | 0.74 | CYP1A2 (0.79) | CYP2A6CYP1A2KDM4ECA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101486643-A | Trans naproxen ester, optical isomer thereof, as well as preparation and use thereof | UNIV HUNAN (CN) | 2009-07-22 | — | — | CN | claimed |
| US-5286902-A | Process for preparation of 2-(6-methoxy-2-naphthyl)propionic acid and intermediates therefor utilizing 2,6-diisopropylnaphthalene | KOCH INDUSTRIES, INC. (US) | 1994-02-15 | — | — | US | disclosed |