Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 7/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.48 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.48 |
| ▸ | CYP2B6 | P20813 | 2/20 | 0.42 |
| ▸ | TRPM4 | Q8TD43 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | NQO2 | P16083 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | STS | P08842 | 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 | |
|---|---|---|---|---|
| SCHEMBL3037409 | 0.79 | CYP2B6 (0.42) | CYP1A2CYP1A1CYP1B1CYP2B6HTT | |
| SCHEMBL31261470 | 0.74 | CYP1A2 (0.43) | CYP1A2CYP1A1CYP1B1CYP2B6CA1 | |
| SCHEMBL6247638 | 0.72 | CYP2B6 (0.42) | CYP1A2CYP1A1CYP1B1CYP2B6TRPM4 | |
| SCHEMBL30819522 | 0.72 | CYP2B6 (0.42) | CYP1A2CYP1A1CYP1B1CYP2B6TRPM4 | |
| SCHEMBL30595751 | 0.72 | PRKDC (0.47) | CYP1A2CYP1A1CYP1B1CYP2B6 | |
| SCHEMBL1041972 | 0.71 | CA12 (0.47) | CYP1A2CYP1A1CYP1B1CYP2B6CA12 | |
| SCHEMBL29756136 | 0.71 | CA12 (0.47) | CYP1A2CYP1A1CYP1B1CYP2B6CA12 | |
| SCHEMBL87841 | 0.71 | CA12 (0.47) | CYP1A2CYP1A1CYP1B1CYP2B6CA12 | |
| SCHEMBL372269 | 0.71 | HPRT1 (0.47) | CYP1A2CYP1A1CYP1B1CYP2B6CA12 | |
| SCHEMBL30478411 | 0.71 | PRKDC (0.48) | CYP2B6LMNAMAPTTHRB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0835870-B1 | Photochromic substituted naphthopyrans | PPG IND OHIO INC (US) | 2004-03-03 | — | — | EP | disclosed |
| EP-0835870-A1 | Photochromic substituted naphthopyrans | PPG INDUSTRIES, INC. (US) | 1998-04-15 | — | — | EP | disclosed |
| WO-1998014443-A1 | NOVEL SUBSTITUTED NAPHTHOPYRANS | PPG INDUSTRIES, INC. (US) | 1998-04-09 | — | — | WO | disclosed |
| US-5656206-A | OPHTHALIMIC LENSES; RADIATION TRANSPARENT; PHOTOCHROMISM | TRANSITIONS OPTICAL, INC. (US) | 1997-08-12 | — | — | US | disclosed |