Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyltriphenylphosphonium. 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 | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.43 |
| ▸ | CES1 | P23141 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Butyltriphenylphosphonium SCHEMBL7530466 | 1.00 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL328957 | 0.95 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL8437734 | 0.95 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL10949251 | 0.93 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL7871075 | 0.93 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL3786910 | 0.93 | ALDH1A1 (0.49) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL21296057 | 0.93 | ALDH1A1 (0.52) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL9603313 | 0.89 | TSHR (0.55) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Acetic Acid SCHEMBL7877215 | 0.89 | TSHR (0.55) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 | |
| Butyltriphenylphosphonium SCHEMBL9161985 | 0.88 | ALDH1A1 (0.47) | ALDH1A1CYP1A2CYP2D6TSHRCYP2C19 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5079314-A | Curable compositions containing epoxidized phenolformaldehyde resins containing reduced quantities of 2-functional components | THE DOW CHEMICAL COMPANY (US) | 1992-01-07 | — | — | US | disclosed |
| US-4755543-A | Phenol-formaldehyde resins containing reduced quantities of 2-functional components and epoxy novolac resins prepared therefrom | THE DOW CHEMICAL COMPANY (US) | 1988-07-05 | — | — | US | disclosed |
| US-4649188-A | Method for reducing 2-functional components in novolac resins and epoxy novolac resins prepared therefrom | THE DOW CHEMICAL COMPANY (US) | 1987-03-10 | — | — | US | disclosed |