Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.32 |
| ▸ | CDC42BPB | Q9Y5S2 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.30 |
| ▸ | CDK7 | P50613 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL798621 | 0.71 | MEN1 (0.33) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL798029 | 0.68 | MEN1 (0.32) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL7648562 | 0.66 | KDM1A (0.43) | CYP1A2CYP2D6TSHR | |
| SCHEMBL1760922 | 0.61 | — | — | |
| SCHEMBL9933917 | 0.61 | TSHR (0.32) | TSHR | |
| SCHEMBL9982976 | 0.60 | MEN1 (0.34) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL2507997 | 0.60 | FDPS (0.35) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL26669526 | 0.60 | HTR3E (0.45) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL13117197 | 0.58 | CYP46A1 (0.55) | MEN1CYP1A2CYP3A4CYP2D6TSHR | |
| SCHEMBL23932472 | 0.57 | CYP2D6 (0.64) | MEN1CYP1A2CYP3A4CYP2D6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| EP-2616077-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | Katholieke Universiteit Leuven, K.U. Leuven R&D (BE) | 2013-07-24 | — | — | EP | disclosed |
| WO-2012035423-A1 | ANTI-CANCER ACTIVITY OF NOVEL BICYCLIC HETEROCYCLES | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-03-22 | — | — | WO | disclosed |