Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | CYP4Z1 | Q86W10 | 1/20 | 0.44 |
| ▸ | CYP4F11 | Q9HBI6 | 1/20 | 0.44 |
| ▸ | CYP4F12 | Q9HCS2 | 1/20 | 0.44 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | RARB | P10826 | 2/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1019112 | 0.87 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL8156692 | 0.78 | CYP3A4 (0.43) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL28611995 | 0.78 | KCNH2 (0.56) | CYP3A4HSD11B1RARBKCNH2ALDH1A1 | |
| SCHEMBL28173859 | 0.77 | PSMB5 (0.46) | HSD11B1RARBALDH1A1 | |
| SCHEMBL2221380 | 0.77 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 | |
| SCHEMBL27681207 | 0.77 | KCNH2 (0.59) | CYP3A4RARBKCNH2ALDH1A1HTR2A | |
| SCHEMBL10499118 | 0.77 | KCNH2 (0.59) | CYP3A4RARBKCNH2ALDH1A1HTR2A | |
| Butylbenzyl SCHEMBL11855936 | 0.77 | ALDH1A1 (0.50) | CNR2HSD11B1RARBKCNH2ALDH1A1 | |
| Butylbenzyl SCHEMBL27793037 | 0.77 | ALDH1A1 (0.50) | CNR2HSD11B1RARBKCNH2ALDH1A1 | |
| SCHEMBL11856225 | 0.76 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106232666-A | Post-modification polycarbodiimide | 巴斯夫欧洲公司 | 2016-12-14 | — | — | CN | disclosed |