Known targets — ChEMBL curated mechanism
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 | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | KCNN4 | O15554 | 7/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 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 | |
|---|---|---|---|---|
| SCHEMBL45520 | 0.97 | CYP1A2 (0.56) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL28778133 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL7880822 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| Hydrogen Sulfide SCHEMBL27587806 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL29559623 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL11522471 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL29282850 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL10403424 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL30541207 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT | |
| SCHEMBL28288580 | 0.94 | CYP1A2 (0.54) | CYP1A2KCNN4NPSR1CYP2D6MAPT |
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-4632785-A | CARBOXYLIC ACID AMINE SALT; STORAGE STABILITY OF ISOCYANATE PREMIXES | THE DOW CHEMICAL COMPANY (US) | 1986-12-30 | — | — | US | disclosed |
| US-4540781-A | Product and process trimerization of organic isocyanates | THE UPJOHN COMPANY (US) | 1985-09-10 | — | — | US | disclosed |