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 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | THPO | P40225 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 2/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9634534 | 0.91 | HIF1A (0.52) | HIF1ACYP1A2CYP3A4CA12ATM | |
| SCHEMBL10484487 | 0.85 | ESR1 (0.44) | CYP1A2CYP3A4CA12ATMCA9 | |
| SCHEMBL10484434 | 0.82 | TDP1 (0.49) | CYP1A2CYP3A4ALDH1A1TSHRCYP2C19 | |
| SCHEMBL10484475 | 0.82 | ALDH1A1 (0.53) | ALDH1A1LMNAKMT2ATDP1KDM4E | |
| SCHEMBL9634538 | 0.81 | ALDH1A1 (0.51) | HIF1ACYP1A2CYP3A4CA12ATM | |
| Butyltriphenylphosphonium SCHEMBL6928248 | 0.81 | CNR2 (0.45) | HIF1ACYP1A2CYP3A4CA12ATM | |
| SCHEMBL2230521 | 0.81 | ALDH1A1 (0.38) | HIF1ACYP1A2CYP3A4CA12ATM | |
| SCHEMBL6230992 | 0.80 | CYP3A4 (0.46) | CYP1A2CYP3A4CA12ATMCA9 | |
| SCHEMBL6232589 | 0.80 | ALDH1A1 (0.40) | HIF1ACYP1A2CYP3A4CA12ATM | |
| Phenol SCHEMBL9390292 | 0.80 | CA12 (0.46) | CYP1A2CYP3A4CA12CA9L3MBTL1 |
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-4855396-A | BINDER/CHARGE AGENT IN ELECTROSTATOGRAPHIC TONER PARTICLES | EASTMAN KODAK COMPANY (US) | 1989-08-08 | — | — | US | disclosed |
| US-4837394-A | CHARGE CONTROL AGENTS | EASTMAN KODAK COMPANY (US) | 1989-06-06 | — | — | US | disclosed |