Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22423590 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL17885008 | 0.72 | MCL1 (0.36) | CYP1A2 | |
| SCHEMBL21019289 | 0.70 | TAAR1 (0.45) | — | |
| SCHEMBL22593361 | 0.68 | — | — | |
| SCHEMBL24222431 | 0.68 | KDM4E (0.33) | CA1CA2 | |
| SCHEMBL18809003 | 0.68 | KDM4E (0.33) | CA1CA2 | |
| SCHEMBL22524162 | 0.66 | LMNA (0.39) | — | |
| SCHEMBL22084924 | 0.65 | KMT2A (0.42) | — | |
| SCHEMBL21913936 | 0.64 | — | — | |
| SCHEMBL19158811 | 0.63 | PLA2G2A (0.32) | CYP1A1CYP1A2CYP1B1 |
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-2016080791-A1 | A PLURALITY OF HOST MATERIALS AND AN ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2016-05-26 | — | — | WO | disclosed |