Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCEH1 | Q6PIU2 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.38 |
| ▸ | WDR5 | P61964 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 2/20 | 0.37 |
| ▸ | PPARA | Q07869 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | LDHA | P00338 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8728993 | 0.82 | ALDH1A1 (0.45) | CYP1A2KDM4EHPGDFABP4FABP5 | |
| SCHEMBL11460736 | 0.80 | AKR1B1 (0.53) | NCEH1CYP1A2CYP2A6TSHRL3MBTL1 | |
| SCHEMBL10830584 | 0.78 | ALDH1A1 (0.43) | NCEH1CYP1A2CYP2A6TSHRL3MBTL1 | |
| SCHEMBL11556826 | 0.75 | FABP4 (0.49) | TSHRL3MBTL1KDM4EHPGDFABP4 | |
| Hydrogen Peroxide SCHEMBL8610670 | 0.74 | TSHR (0.52) | NCEH1CYP1A2CYP2A6TSHRL3MBTL1 | |
| SCHEMBL9445845 | 0.73 | LMNA (0.45) | L3MBTL1FABP4FABP5ALDH1A1PPARA | |
| SCHEMBL9445842 | 0.73 | LMNA (0.45) | L3MBTL1FABP4FABP5ALDH1A1PPARA | |
| SCHEMBL9445841 | 0.73 | LMNA (0.45) | L3MBTL1FABP4FABP5ALDH1A1PPARA | |
| SCHEMBL9537762 | 0.73 | KDM4E (0.49) | KDM4EHPGDALDH1A1MEN1KMT2A | |
| SCHEMBL6392222 | 0.72 | ALDH1A1 (0.47) | NCEH1CYP1A2KDM4EHPGDAKR1B1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1148783-A4 | CONVERTING COX INHIBITION COMPOUNDS THAT ARE NOT COX-2 SELECTIVE INHIBITORS TO DERIVATIVES THAT ARE COX-2 SELECTIVE INHIBITORS | UNIV VANDERBILT (US) | 2003-05-21 | — | — | EP | claimed |
| EP-1148783-A1 | CONVERTING COX INHIBITION COMPOUNDS THAT ARE NOT COX-2 SELECTIVE INHIBITORS TO DERIVATIVES THAT ARE COX-2 SELECTIVE INHIBITORS | Vanderbilt University (US) | 2001-10-31 | — | — | EP | claimed |
| WO-2000040087-A1 | CONVERTING COX INHIBITION COMPOUNDS THAT ARE NOT COX-2 SELECTIVE INHIBITORS TO DERIVATIVES THAT ARE COX-2 SELECTIVE INHIBITORS | VANDERBILT UNIVERSITY (US) | 2000-07-13 | — | — | WO | claimed |
| US-4565877-A | Naphthalene derivatives and method for preparation thereof | TANABE SEIYAKU CO., LTD. (JP) | 1986-01-21 | — | — | US | disclosed |
| EP-0107149-B1 | NOVEL NAPHTHALENE DERIVATIVES AND METHOD FOR PREPARATION THEREOF | Tanabe Seiyaku Co., Ltd. (JP) | 1985-10-16 | — | — | EP | disclosed |