Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PPM1B | O75688 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.31 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.31 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.31 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.31 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL25600270 | 1.00 | ALDH1A1 (0.33) | ALDH1A1PPM1BPTPN1PPP1CCTP53 | |
| SCHEMBL818076 | 0.89 | PPM1B (0.38) | ALDH1A1PPM1BPTPN1PPP1CCTP53 | |
| SCHEMBL25499830 | 0.81 | CHRNB2 (0.35) | ALDH1A1CYP2C19CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL22787511 | 0.81 | CHRNB2 (0.35) | ALDH1A1CYP2C19CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL12795464 | 0.81 | CHRNB2 (0.35) | ALDH1A1CYP2C19CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL13042109 | 0.81 | PPM1B (0.41) | ALDH1A1PPM1BPTPN1PPP1CCTP53 | |
| SCHEMBL19985166 | 0.81 | CHRNB2 (0.35) | ALDH1A1CYP2C19CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL20562897 | 0.79 | PPM1B (0.38) | ALDH1A1PPM1BPTPN1PPP1CC | |
| SCHEMBL25603107 | 0.78 | MMP2 (0.33) | PPM1BPTPN1PPP1CCTP53CYP1A2 | |
| SCHEMBL25603104 | 0.78 | MMP2 (0.33) | PPM1BPTPN1PPP1CCTP53CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018210828-A1 | ORGANIC COMPOUNDS | GIVAUDAN SA (CH) | 2018-11-22 | — | — | WO | disclosed |
| WO-2010148049-A2 | PREPARATION OF TRANS, TRANS MUCONIC ACID AND TRANS, TRANS MUCONATES | DRATHS CORPORATION (US) | 2010-12-23 | — | — | WO | disclosed |