Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | KCNQ2 | O43526 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CDC25B | P30305 | 2/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KCNQ3 | O43525 | 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 | |
|---|---|---|---|---|
| SCHEMBL9178424 | 0.81 | ALDH1A1 (0.62) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11325122 | 0.78 | HDAC4 (0.41) | HDAC3HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL9695883 | 0.75 | ALDH1A1 (0.64) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11001768 | 0.75 | ALDH1A1 (0.56) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9342000 | 0.75 | ALDH1A1 (0.78) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28401182 | 0.75 | ALDH1A1 (0.72) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7916743 | 0.74 | ALDH1A1 (0.81) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7250114 | 0.74 | ALDH1A1 (0.66) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL3784358 | 0.72 | ALDH1A1 (0.73) | ALDH1A1HPGDCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL28112653 | 0.72 | NLRP3 (0.63) | ALDH1A1HPGDNLRP3SMN1; SMN2HSD17B10 |
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-4243584-A | Monoazo dyestuffs containing diazo component substituted by disulfimide and trifluoromethyl groups | BAYER AKTIENGESELLSCHAFT (DE) | 1981-01-06 | — | — | US | disclosed |
| US-4159265-A | Phenylazopyrazolo dyestuffs including disulfimide substituent | BAYER AKTIENGESELLSCHAFT (DE) | 1979-06-26 | — | — | US | disclosed |
| US-3978039-A | POLYAMIDES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-08-24 | — | — | US | disclosed |