Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 1/20 | 0.42 |
| ▸ | TYR | P14679 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6832785 | 0.82 | CA1 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8784472 | 0.79 | CA12 (0.52) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28690276 | 0.78 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13500504 | 0.77 | CA12 (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4010346 | 0.76 | CA12 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL10686479 | 0.76 | LMNA (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5174129 | 0.75 | PBRM1 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13500516 | 0.75 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8785084 | 0.74 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL682768 | 0.72 | CA12 (0.58) | CA12CA1CA2CA7CA9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1692138-A1 | PYRANO-QUINOLINES, PYRANO-QUINOLINONES, COMBINATIONS THEREOF, PHOTOCHROMIC COMPOSITIONS AND ARTICLES | TRANSITIONS OPTICAL, INC. (US) | 2006-08-23 | — | — | EP | disclosed |
| WO-2005061514-A1 | PYRANO-QUINOLINES, PYRANO-QUINOLINONES, COMBINATIONS THEREOF, PHOTOCHROMIC COMPOSITIONS AND ARTICLES | TRANSITIONS OPTICAL, INC. (US) | 2005-07-07 | — | — | WO | disclosed |
| WO-1994020869-A1 | NOVEL BENZOPYRANS | PPG INDUSTRIES, INC. (US) | 1994-09-15 | — | — | WO | disclosed |