Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 7/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.53 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.53 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.44 |
| ▸ | PGR | P06401 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1821918 | 0.92 | CYP2A6 (0.60) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL13130594 | 0.85 | CYP2A6 (0.61) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL21300892 | 0.79 | CYP2A6 (0.45) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL2095202 | 0.79 | CYP2A6 (0.50) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL8076141 | 0.79 | CYP2A6 (0.55) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL28080232 | 0.77 | MEN1 (0.49) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL10407505 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL28479595 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL14640117 | 0.75 | CYP2A6 (0.52) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 | |
| SCHEMBL2122531 | 0.75 | CYP2A6 (0.58) | CYP2A6CYP3A4CYP2C19CYP2B6CYP2E1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20180047906-A1 | HEXABENZOCORONENE-BASED COMPOUND FOR ORGANIC PHOTOVOLTAIC CELLS | UNIVERSITE DE PAU ET DES PAYS DE L'ADOUR (FR) | 2018-02-15 | — | — | US | disclosed |