Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 1/20 | 0.35 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.35 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.35 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL12199461 | 0.73 | CYP3A4 (0.38) | CYP2D6CYP3A4CYP1A2TSHRMAPK1 | |
| SCHEMBL14627615 | 0.71 | DPP4 (0.45) | CYP2D6CYP3A4CYP1A2TSHRMAPK1 | |
| SCHEMBL3469048 | 0.71 | DPP4 (0.45) | CYP2D6CYP3A4CYP1A2TSHRMAPK1 | |
| SCHEMBL13077266 | 0.71 | DPP4 (0.45) | CYP2D6CYP3A4CYP1A2TSHRMAPK1 | |
| SCHEMBL22876667 | 0.71 | CYP3A4 (0.31) | CYP2D6CYP3A4CYP1A2TSHRMAPK1 | |
| SCHEMBL12722511 | 0.71 | AURKA (0.31) | AURKAPDPK1RPS6KB1 | |
| SCHEMBL2738406 | 0.69 | KDM4E (0.43) | LMNA | |
| SCHEMBL20311848 | 0.69 | AOC3 (0.33) | CYP3A4CYP1A2TSHRHSD17B10LMNA | |
| SCHEMBL21554360 | 0.68 | DPP4 (0.41) | CYP2D6CYP3A4CYP1A2TSHRMAPK1 | |
| SCHEMBL10348301 | 0.68 | SIGMAR1 (0.37) | SIGMAR1 |
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-2017078403-A1 | A PLURALITY OF HOST MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-05-11 | — | — | WO | disclosed |