Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | RECQL | P46063 | 2/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | PARP1 | P09874 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.54 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.52 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.52 |
| ▸ | GABBR2 | O75899 | 1/20 | 0.50 |
| ▸ | GABBR1 | Q9UBS5 | 1/20 | 0.50 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Guanidine SCHEMBL4202038 | 0.85 | GABBR2 (0.53) | CYP2C19TDP1POLBGABBR2GABBR1 | |
| SCHEMBL4537466 | 0.85 | TSHR (0.50) | CYP2C19TSHRGABBR2GABBR1OPRD1 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL5283373 | 0.84 | GABBR2 (0.59) | CYP2C19POLBMAPTGABBR2GABBR1 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL66473 | 0.84 | GABBR2 (0.59) | CYP2C19POLBMAPTGABBR2GABBR1 | |
| SCHEMBL28076408 | 0.83 | RECQL (0.56) | CYP2C19TDP1RECQLPOLBCYP3A4 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL28079188 | 0.82 | GABBR2 (0.57) | CYP2C19POLBMAPTGABBR2GABBR1 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL9100138 | 0.82 | GABBR2 (0.57) | CYP2C19POLBMAPTGABBR2GABBR1 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL28079326 | 0.82 | GABBR2 (0.57) | CYP2C19POLBMAPTGABBR2GABBR1 | |
| 3,3-Diphenylpropanoic Acid SCHEMBL5740483 | 0.82 | GABBR2 (0.57) | CYP2C19POLBMAPTGABBR2GABBR1 | |
| SCHEMBL14931948 | 0.81 | POLB (0.57) | CYP2C19TDP1POLBGABBR2GABBR1 |
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-2010138644-A1 | PROCESSES FOR THE PREPARATION OF SUBSTITUTED TETRAHYDRO BETA-CARBOLINES | PTC THERAPEUTICS, INC. (US) | 2010-12-02 | — | — | WO | claimed |