Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.39 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4755281 | 0.87 | CYP2C9 (0.46) | CYP2C9LMNACYP2D6CYP2C19 | |
| SCHEMBL8442043 | 0.85 | CYP2C9 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL9228740 | 0.85 | CYP2C9 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL8444682 | 0.85 | CYP2C9 (0.41) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| Sulfuric Acid SCHEMBL21819838 | 0.84 | CDC25A (0.40) | TSHR | |
| Sulfuric Acid SCHEMBL21819840 | 0.78 | CDC25A (0.38) | — | |
| SCHEMBL9228736 | 0.78 | CYP2C9 (0.40) | CYP2C9KCNH2LMNACYP2D6TSHR | |
| SCHEMBL28359649 | 0.78 | CDC25A (0.40) | TSHR | |
| SCHEMBL4452005 | 0.78 | CDC25A (0.40) | TSHR | |
| SCHEMBL10034058 | 0.78 | CDC25A (0.40) | TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4287284-A | AND A DEVELOPER OF BUTYL METHACRYLATE-STYRENE RESIN OR BUTADIENE-STYRENE RESIN WITH CARBON BLACK, AND A CARRIER OF POLYVINYLIDENE FLUORIDE COATED STEEL | XEROX CORPORATION (US) | 1981-09-01 | — | — | US | disclosed |
| US-4264702-A | BUTYL METHACRYLATE-STYRENE COPOLYMER, CARBON BLACK | XEROX CORPORATION (US) | 1981-04-28 | — | — | US | disclosed |