Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.43 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.43 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.40 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.34 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.31 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.31 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL29609923 | 0.74 | CYP1A1 (0.34) | CYP1A2CYP1A1CYP2B6 | |
| SCHEMBL11792905 | 0.74 | CYP1A1 (0.34) | CYP1A2CYP1A1CYP2B6 | |
| SCHEMBL9100930 | 0.74 | CYP1A2 (0.39) | CYP1A2CYP1B1CYP1A1CYP2B6MTNR1A | |
| SCHEMBL87841 | 0.69 | CA12 (0.47) | CYP1A2CYP1B1CYP1A1CYP2B6MTNR1A | |
| SCHEMBL29756136 | 0.69 | CA12 (0.47) | CYP1A2CYP1B1CYP1A1CYP2B6MTNR1A | |
| SCHEMBL1041972 | 0.69 | CA12 (0.47) | CYP1A2CYP1B1CYP1A1CYP2B6MTNR1A | |
| SCHEMBL874441 | 0.68 | CYP1A1 (0.36) | CYP1A2CYP1A1CYP2B6 | |
| SCHEMBL19725734 | 0.68 | KDM4E (0.33) | KDM4EMAPT | |
| SCHEMBL9101318 | 0.68 | CYP1A2 (0.40) | CYP1A2CYP1B1CYP1A1CYP2B6MTNR1A | |
| SCHEMBL5102597 | 0.67 | — | — |
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-5552091-A | PHOTOCHROMIC, LENSES | PPG INDUSTRIES, INC. (US) | 1996-09-03 | — | — | US | disclosed |