Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.31 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL8553982 | 0.71 | CYP1A1 (0.40) | CYP1A1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL9391887 | 0.71 | CYP1A2 (0.43) | CYP1A1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL29657636 | 0.71 | CYP1A1 (0.40) | CYP1A1CYP1A2HTR2AHTR2CHTR2B | |
| SCHEMBL29416115 | 0.70 | CYP1A2 (0.43) | CYP1A1CYP1A2MAOAMAOB | |
| SCHEMBL994002 | 0.70 | CYP1A2 (0.43) | CYP1A1CYP1A2MAOAMAOB | |
| SCHEMBL29365059 | 0.69 | CYP2B6 (0.43) | CYP1A1CYP1A2HTR2BCYP2B6 | |
| SCHEMBL29372595 | 0.69 | CYP2B6 (0.43) | CYP1A1CYP1A2HTR2BCYP2B6 | |
| SCHEMBL1043402 | 0.69 | CYP2B6 (0.43) | CYP1A1CYP1A2HTR2BCYP2B6 | |
| SCHEMBL3708936 | 0.69 | HPRT1 (0.47) | CYP1A1CYP1A2CYP2B6 | |
| Biphenyl SCHEMBL27808086 | 0.68 | CYP1A1 (0.47) | CYP1A1CYP1A2CYP2B6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5552091-A | PHOTOCHROMIC, LENSES | PPG INDUSTRIES, INC. (US) | 1996-09-03 | — | — | US | disclosed |
| WO-1994020869-A1 | NOVEL BENZOPYRANS | PPG INDUSTRIES, INC. (US) | 1994-09-15 | — | — | WO | disclosed |