Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Naphthalene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.48 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | CMA1 | P23946 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1180264 | 0.93 | TDP1 (0.56) | FFAR4KDM4ECDYLTDP1FFAR1 | |
| SCHEMBL4510057 | 0.92 | TDP1 (0.54) | FFAR4KDM4ECDYLTDP1FFAR1 | |
| SCHEMBL1820018 | 0.84 | FFAR4 (0.46) | FFAR4KDM4ECDYLTDP1FFAR1 | |
| SCHEMBL4564283 | 0.80 | MTNR1A (0.54) | FFAR4KDM4ECDYLTDP1FFAR1 | |
| SCHEMBL48684 | 0.80 | TDP1 (0.57) | FFAR4KDM4ECDYLTDP1FFAR1 | |
| SCHEMBL7791197 | 0.79 | FFAR4 (0.48) | FFAR4KDM4ECDYLTDP1FFAR1 | |
| SCHEMBL586305 | 0.79 | CYP1A2 (0.52) | CDYLTDP1AKR1B1MTNR1ACYP1A2 | |
| SCHEMBL8480197 | 0.78 | CDYL (0.49) | FFAR4KDM4ECDYLTDP1ALDH1A1 | |
| SCHEMBL11052717 | 0.78 | CYP1A2 (0.46) | KDM4ECDYLTDP1AKR1B1MTNR1A | |
| SCHEMBL4521520 | 0.78 | MTNR1A (0.45) | FFAR4KDM4ECDYLTDP1AKR1B1 |
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-2323656-A1 | PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST | AstraZeneca AB (SE) | 2011-05-25 | — | — | EP | disclosed |
| WO-2010019098-A1 | PHARMACEUTICAL PRODUCT COMPRISING A MUSCARINIC RECEPTOR ANTAGONIST AND A BETA-2-ADRENOCEPTOR AGONIST | ASTRAZENECA AB (SE) | 2010-02-18 | — | — | WO | disclosed |