Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 6/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 5/20 | 0.39 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.38 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 5/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9101264 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP1B1MTNR1AMTNR1BCYP1A1 | |
| SCHEMBL9105068 | 0.72 | CYP1A1 (0.34) | CYP1A2CYP1A1CYP2A6CYP2B6 | |
| SCHEMBL29609339 | 0.72 | CYP1A1 (0.34) | CYP1A2CYP1A1CYP2A6CYP2B6 | |
| SCHEMBL29756136 | 0.68 | CA12 (0.47) | CYP1A2CYP1B1MTNR1AMTNR1BCYP1A1 | |
| SCHEMBL87841 | 0.68 | CA12 (0.47) | CYP1A2CYP1B1MTNR1AMTNR1BCYP1A1 | |
| SCHEMBL1041972 | 0.68 | CA12 (0.47) | CYP1A2CYP1B1MTNR1AMTNR1BCYP1A1 | |
| SCHEMBL18527295 | 0.67 | CYP2A6 (0.40) | CYP2A6 | |
| SCHEMBL9391887 | 0.67 | CYP1A2 (0.43) | CYP1A2CYP1B1MTNR1AMTNR1BCYP1A1 | |
| SCHEMBL5102597 | 0.66 | — | — | |
| SCHEMBL793638 | 0.65 | CYP2A6 (0.46) | CYP2A6PIM1 |
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 |