Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 4/20 | 0.48 |
| ▸ | CES1 | P23141 | 4/20 | 0.48 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | FYN | P06241 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | NR4A1 | P22736 | 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 | |
|---|---|---|---|---|
| Naphthalene SCHEMBL27548576 | 0.97 | CYP2A6 (0.53) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL263645 | 0.97 | CYP2A6 (0.53) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL28104781 | 0.97 | CYP2A6 (0.53) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL3759523 | 0.97 | CYP2A6 (0.53) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL28769152 | 0.97 | CYP2A6 (0.53) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL14715817 | 0.94 | CYP2A6 (0.50) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL14715874 | 0.94 | CYP2A6 (0.50) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL15903556 | 0.94 | CYP2A6 (0.50) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL15903553 | 0.94 | CYP2A6 (0.50) | CYP2A6ALOX12CES2CES1NAPRT | |
| Naphthalene SCHEMBL27929662 | 0.94 | CYP2A6 (0.50) | CYP2A6ALOX12CES2CES1NAPRT |
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-2748244-B1 | METAL CARBOXYLATE ADDITIVES FOR THERMOPLASTICS | TOTAL PETROCHEMICALS & REFINING USA INC (US) | 2017-09-27 | — | — | EP | disclosed |
| US-9045615-B2 | Metal carboxylate additives for thermoplastics | FINA TECHNOLOGY, INC. (US) | 2015-06-02 | — | — | US | disclosed |
| EP-2748244-A1 | METAL CARBOXYLATE ADDITIVES FOR THERMOPLASTICS | Total Petrochemicals & Refining USA, Inc. (US) | 2014-07-02 | — | — | EP | disclosed |
| US-20130053496-A1 | METAL CARBOXYLATE ADDITIVES FOR THERMOPLASTICS | CRAY VALLEY TECHNOLOGY USA, LLC (US) | 2013-02-28 | — | — | US | disclosed |
| WO-2013028485-A1 | METAL CARBOXYLATE ADDITIVES FOR THERMOPLASTICS | CRAY VALLEY TECHNOLOGY USA, LLC (US) | 2013-02-28 | — | — | WO | disclosed |