Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 6/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | IGF1R | P08069 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.36 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL9008786 | 0.84 | KCNH2 (0.59) | KCNH2CYP1A2CYP2A6TAAR1MAPT | |
| SCHEMBL8447026 | 0.83 | KCNH2 (0.51) | KCNH2CYP1A2CYP2A6TAAR1MAPT | |
| SCHEMBL20234816 | 0.83 | KCNH2 (0.51) | KCNH2CYP1A2CYP2A6TAAR1MAPT | |
| SCHEMBL2612033 | 0.82 | CYP1A2 (0.52) | KCNH2CYP1A2CYP2A6TAAR1MAPT | |
| SCHEMBL2172552 | 0.82 | TAAR1 (0.44) | KCNH2TAAR1MAPTIDO1KMT2A | |
| SCHEMBL31246192 | 0.82 | TAAR1 (0.44) | TAAR1MAPTAGXTIDO1KMT2A | |
| SCHEMBL21899558 | 0.82 | KCNH2 (0.49) | KCNH2CYP1A2CYP2A6TAAR1AGXT | |
| SCHEMBL27756949 | 0.82 | TAAR1 (0.53) | TAAR1MAPTAGXTIDO1HRH3 | |
| SCHEMBL15114763 | 0.82 | ESR1 (0.50) | TAAR1MAPTKMT2AACHE | |
| SCHEMBL27756950 | 0.82 | CHKA (0.36) | KCNH2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20130184462-A1 | METHOD FOR PREDICTING AND MODELING ANTI-PSYCHOTIC ACTIVITY USING VIRTUAL SCREENING MODEL | COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) | 2013-07-18 | — | — | US | disclosed |