Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 13/20 | 0.57 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.57 |
| ▸ | NOS2 | P35228 | 3/20 | 0.57 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.39 |
| ▸ | PPARA | Q07869 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MTOR | P42345 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL5481862 | 0.89 | SLC6A4 (0.56) | SLC6A4SLC6A2CYP2D6NOS2TAAR1 | |
| SCHEMBL5481863 | 0.89 | SLC6A4 (0.56) | SLC6A4SLC6A2CYP2D6NOS2TAAR1 | |
| SCHEMBL5481857 | 0.89 | SLC6A4 (0.56) | SLC6A4SLC6A2CYP2D6NOS2TAAR1 | |
| Hydrochloric Acid SCHEMBL5474756 | 0.87 | SLC6A4 (0.55) | SLC6A4SLC6A2CYP2D6NOS2TAAR1 | |
| Hydrochloric Acid SCHEMBL5474768 | 0.87 | SLC6A4 (0.55) | SLC6A4SLC6A2CYP2D6NOS2TAAR1 | |
| Hydrochloric Acid SCHEMBL5474763 | 0.87 | SLC6A4 (0.55) | SLC6A4SLC6A2CYP2D6NOS2TAAR1 | |
| SCHEMBL12212593 | 0.83 | SLC6A4 (0.60) | SLC6A4SLC6A2CYP2D6NOS2NPC1 | |
| SCHEMBL22644024 | 0.82 | PPARA (0.43) | SLC6A4SLC6A2CYP2D6NOS2PPARG | |
| SCHEMBL19088418 | 0.82 | L3MBTL1 (0.44) | SLC6A4CYP2D6PPARGPPARACYP2C19 | |
| SCHEMBL5473701 | 0.78 | SLC6A4 (0.66) | SLC6A4SLC6A2CYP2D6NOS2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2215092-B1 | SUBSTITUTED PIPERIDINO-DIHYDROTHIENOPYRIMIDINES | BOEHRINGER INGELHEIM INT (DE) | 2012-01-25 | — | — | EP | disclosed |