Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 2/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | IGF1R | P08069 | 1/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CHKA | P35790 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL692019 | 1.00 | CYP1A2 (0.46) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL7783412 | 0.86 | NPC1 (0.55) | CYP1A2CYP2A6TAAR1GPR52ALDH1A1 | |
| SCHEMBL7783419 | 0.86 | NPC1 (0.55) | CYP1A2CYP2A6TAAR1GPR52ALDH1A1 | |
| SCHEMBL7783415 | 0.86 | NPC1 (0.55) | CYP1A2CYP2A6TAAR1GPR52ALDH1A1 | |
| SCHEMBL19493518 | 0.83 | FFAR4 (0.36) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL10800165 | 0.81 | KCNH2 (0.37) | GPR52KCNH2ALDH1A1KMT2A | |
| SCHEMBL11395330 | 0.81 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL11401389 | 0.81 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL11395333 | 0.81 | CYP1A2 (0.45) | CYP1A2CYP2A6TAAR1GPR52AGXT | |
| SCHEMBL2564120 | 0.81 | ESR1 (0.52) | TAAR1IDO1ALDH1A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011008564-A2 | COMPOSITIONS AND METHODS FOR IMPROVED SACCHARIFICATION OF BIOMASS | QTEROS, INC. (US) | 2011-01-20 | — | — | WO | disclosed |