Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H4 | Q96RI1 | 13/20 | 0.52 |
| ▸ | PDE6D | O43924 | 6/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALPG | P10696 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3573957 | 0.76 | NR1H4 (0.86) | NR1H4CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3557195 | 0.75 | NR1H4 (0.84) | NR1H4CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3557193 | 0.74 | NR1H4 (0.86) | NR1H4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3445875 | 0.73 | NR1H4 (0.78) | NR1H4CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15474504 | 0.73 | NR1H4 (0.64) | NR1H4PDE6DCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28236159 | 0.73 | CYP11B2 (0.63) | TP53 | |
| SCHEMBL15474594 | 0.72 | NR1H4 (0.56) | NR1H4PDE6DCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL198793 | 0.72 | NR1H4 (0.63) | NR1H4PDE6DKDM4ELMNARAB9A | |
| SCHEMBL2607467 | 0.71 | ALDH1A1 (0.72) | PDE6DKDM4EALDH1A1LMNATP53 | |
| Hydrochloric Acid SCHEMBL8021989 | 0.70 | KDM4E (0.48) | NR1H4PDE6DKDM4EALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014027053-A1 | BENZIMIDAZOLES FOR THE TREATMENT OF CANCER | MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2014-02-20 | — | — | WO | claimed |