Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 5/20 | 0.48 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.41 |
| ▸ | PRKDC | P78527 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.40 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | MPO | P05164 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.37 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.36 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.36 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2717827 | 0.88 | TAAR1 (0.41) | TAAR1CYP1A2MPOSLC6A4HTR2A | |
| SCHEMBL2015662 | 0.82 | CYP11B1 (0.38) | TAAR1MPOSLC6A4HPRT1 | |
| SCHEMBL2012666 | 0.79 | TAAR1 (0.47) | TAAR1ADORA2AMPOSLC6A4HTR2A | |
| SCHEMBL2011259 | 0.79 | TAAR1 (0.43) | TAAR1HTR2ASYKKMT2A | |
| SCHEMBL28665841 | 0.74 | ALOX5 (0.52) | TAAR1CYP1A1CYP1A2CYP1B1PRKDC | |
| SCHEMBL31331884 | 0.73 | MPO (0.50) | TAAR1CYP1A2MPOSLC6A4HTR2A | |
| SCHEMBL17187823 | 0.73 | MPO (0.50) | TAAR1CYP1A2MPOSLC6A4HTR2A | |
| SCHEMBL3906112 | 0.72 | ADRA2C (0.60) | TAAR1DPP4 | |
| Hydrochloric Acid SCHEMBL31331975 | 0.72 | HTR1A (0.51) | TAAR1CYP1A2MPOSLC6A4HTR2A | |
| Hydrochloric Acid SCHEMBL20564378 | 0.72 | TAAR1 (0.48) | TAAR1CYP1A2MPOSLC6A4HTR2A |
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-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | disclosed |