Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.36 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8309619 | 0.79 | VNN1 (0.38) | CYP1A2VNN1CYP2C9NAMPTMEN1 | |
| SCHEMBL8866615 | 0.73 | BLM (0.45) | HCAR2 | |
| SCHEMBL9226679 | 0.68 | SMN1; SMN2 (0.43) | CYP1A2MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL8866149 | 0.65 | BLM (0.45) | MEN1KMT2A | |
| SCHEMBL4073039 | 0.65 | CYP2C9 (0.55) | CYP1A2CTDSP1VNN1CYP2C9NAMPT | |
| SCHEMBL28999931 | 0.64 | CTDSP1 (0.46) | CYP1A2CTDSP1VNN1CYP2C9NAMPT | |
| SCHEMBL9220422 | 0.64 | PTPRA (0.43) | CYP1A2MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL11318815 | 0.62 | CYP1A2 (0.56) | CYP1A2CTDSP1VNN1CYP2C9NAMPT | |
| SCHEMBL2962175 | 0.62 | CYP2C19 (0.48) | CYP1A2MEN1KMT2AKDM4EALDH1A1 | |
| SCHEMBL7310669 | 0.62 | CYP1A2 (0.51) | CYP1A2CTDSP1VNN1CYP2C9NAMPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5607935-A | 2-heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1997-03-04 | — | — | US | disclosed |
| EP-0612314-A1 | 2-HETEROCYCLICETHYLAMINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | Astra Aktiebolag (SE) | 1994-08-31 | — | — | EP | disclosed |
| WO-1993009095-A1 | 2-HETEROCYCLICETHYLAMINE DERIVATIVES AND THEIR USE AS PHARMACEUTICALS | FISONS CORPORATION (US) | 1993-05-13 | — | — | WO | disclosed |
| EP-0540318-A1 | 2-Heterocyclicethylamine derivatives and their use as pharmaceuticals | FISONS CORPORATION (US) | 1993-05-05 | — | — | EP | disclosed |