Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | NAAA | Q02083 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.40 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 3/20 | 0.39 |
| ▸ | MAOA | P21397 | 2/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL27806350 | 0.86 | ALDH1A1 (0.46) | MMP13CYP2A6CYP1A2CYP3A4CYP2C9 | |
| SCHEMBL27784339 | 0.78 | CYP2A6 (0.46) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL588130 | 0.77 | CYP2A6 (0.54) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL18983653 | 0.73 | S1PR5 (0.44) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL10715309 | 0.73 | MAPT (0.54) | MMP13NAAACYP1A2CYP2C9CYP2C19 | |
| SCHEMBL6206121 | 0.73 | RHEB (0.52) | CYP1A2CYP2C9CYP2C19MAOBMAPT | |
| SCHEMBL29924283 | 0.73 | RHEB (0.52) | CYP1A2CYP2C9CYP2C19MAOBMAPT | |
| SCHEMBL227363 | 0.73 | CYP1A2 (0.60) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 | |
| SCHEMBL16890555 | 0.71 | RHEB (0.50) | CYP1A2CYP2C9CYP2C19MAPTALDH1A1 | |
| SCHEMBL3269917 | 0.70 | CYP2A6 (0.54) | CYP2A6CYP1A2CYP3A4CYP2C9CYP11B1 |
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-101768086-A | Amino methanol derivant and salt compound thereof as well as synthesizing method and medical application thereof | BEIJING FUKA BIOTECHNOLOGY CO | 2010-07-07 | — | — | CN | disclosed |