Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | CSF1R | P07333 | 2/20 | 0.42 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.40 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12780900 | 0.75 | FLT3 (0.62) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8021582 | 0.70 | ALDH1A1 (0.67) | SMN1; SMN2MAPTALDH1A1HTTHPGD | |
| SCHEMBL20422008 | 0.66 | TNF (0.62) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8023384 | 0.64 | KDM4E (0.69) | SMN1; SMN2MAPTALDH1A1HTTHPGD | |
| SCHEMBL9302427 | 0.64 | ALDH1A1 (0.53) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8022079 | 0.63 | KDM4E (0.76) | SMN1; SMN2MAPTCSF1RALDH1A1HTT | |
| SCHEMBL8023171 | 0.63 | TP53 (0.69) | SMN1; SMN2MAPTCSF1RALDH1A1HTT | |
| SCHEMBL8024159 | 0.63 | KDM4E (0.59) | SMN1; SMN2MAPTALDH1A1HTTHPGD | |
| SCHEMBL8024082 | 0.62 | TP53 (0.70) | SMN1; SMN2MAPTALDH1A1HTTHPGD | |
| SCHEMBL8021696 | 0.62 | MAPT (0.61) | SMN1; SMN2MAPTCSF1RALDH1A1HTT |
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 |
|---|---|---|---|---|---|---|---|
| EP-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |