Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 4/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.42 |
| ▸ | CNR2 | P34972 | 2/20 | 0.41 |
| ▸ | MTNR1A | P48039 | 4/20 | 0.41 |
| ▸ | MTNR1B | P49286 | 3/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.40 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | IDH1 | O75874 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL27919191 | 0.98 | CYP2A6 (0.57) | CYP2A6CYP1A2TDP1NR3C1PGR | |
| SCHEMBL7838287 | 0.85 | CYP2A6 (0.55) | CYP2A6CYP1A2TDP1CNR2MTNR1A | |
| SCHEMBL7747919 | 0.84 | CYP1A2 (0.59) | CYP2A6CYP1A2TDP1NR3C1PGR | |
| SCHEMBL15345396 | 0.82 | CYP2A6 (0.57) | CYP2A6CYP1A2TDP1MTNR1AMAOA | |
| Ammonia Solution, Strong SCHEMBL27919138 | 0.82 | CYP1A2 (0.57) | CYP2A6CYP1A2TDP1NR3C1PGR | |
| SCHEMBL11586426 | 0.82 | CYP1A2 (0.57) | CYP2A6CYP1A2TDP1MTNR1AMTNR1B | |
| SCHEMBL3277029 | 0.82 | CYP1A2 (0.57) | CYP2A6CYP1A2TDP1MTNR1AMTNR1B | |
| SCHEMBL8573022 | 0.80 | TDP1 (0.64) | CYP2A6CYP1A2TDP1MAPTMTNR1A | |
| Ammonia Solution, Strong SCHEMBL27919153 | 0.80 | CYP1A2 (0.50) | CYP2A6CYP1A2MAPTCNR2MTNR1A | |
| SCHEMBL3238625 | 0.80 | CYP1A2 (0.55) | CYP2A6CYP1A2MAPTCNR2MTNR1A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3089957-A1 | PURIFICATION OF AROMATIC CARBOXYLIC ACIDS | BP Corporation North America Inc. (US) | 2016-11-09 | — | — | EP | disclosed |
| WO-2015102654-A1 | PURIFICATION OF AROMATIC CARBOXYLIC ACIDS | BP CORPORATION NORTH AMERICA INC. (US) | 2015-07-09 | — | — | WO | disclosed |
| EP-0710684-B1 | Preparation process of polyhydroxycarboxylic acid | MITSUI CHEMICALS INC (JP) | 2001-01-31 | — | — | EP | disclosed |
| US-5770683-A | Preparation process of polyhydroxycarboxylic acid | MITSUI TOATSU CHEMICALS, INC. (JP) | 1998-06-23 | — | — | US | disclosed |
| EP-0710684-A2 | Preparation process of polyhydroxycarboxylic acid | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1996-05-08 | — | — | EP | disclosed |