Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 4/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.43 |
| ▸ | DRD3 | P35462 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.43 |
| ▸ | EDNRB | P24530 | 1/20 | 0.43 |
| ▸ | MC4R | P32245 | 1/20 | 0.43 |
| ▸ | MC3R | P41968 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.43 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL10991394 | 0.72 | HTR2A (0.40) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL1383474 | 0.71 | CYP2C19 (0.67) | CYP2C19CYP2D6CYP1A2PKMSMN1; SMN2 | |
| SCHEMBL7239259 | 0.71 | HCAR2 (0.44) | CYP2C19CYP2D6LMNAMAPK1SRC | |
| SCHEMBL3903374 | 0.71 | BCAT2 (0.72) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 | |
| SCHEMBL4853261 | 0.71 | CYP2C19 (0.44) | CYP2C19CYP2D6LMNAMAPK1HTR2A | |
| SCHEMBL3144362 | 0.71 | HCAR2 (0.44) | CYP2C19CYP2D6LMNAMAPK1SRC | |
| SCHEMBL7238650 | 0.71 | HCAR2 (0.44) | CYP2C19CYP2D6LMNAMAPK1SRC | |
| SCHEMBL161032 | 0.71 | CNR1 (0.51) | CYP2C19CYP2D6CYP1A2NPSR1EPHX1 | |
| SCHEMBL845836 | 0.71 | CYP2C19 (0.62) | CYP2C19CYP2D6SMN1; SMN2EPHX1LMNA | |
| SCHEMBL741751 | 0.70 | MEN1 (0.58) | CYP2D6CYP1A2PKMSMN1; SMN2NPSR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0865425-A1 | AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING THEM | Dr. Karl Thomae GmbH (DE) | 1998-09-23 | — | — | EP | disclosed |
| EP-0865426-A1 | AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS | Dr. Karl Thomae GmbH (DE) | 1998-09-23 | — | — | EP | disclosed |
| WO-1997019913-A1 | AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING THEM | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |
| WO-1997019914-A1 | AMINO ACID DERIVATIVES, MEDICAMENTS CONTAINING SAID COMPOUNDS AND METHODS OF PRODUCING SAID COMPOUNDS | DR. KARL THOMAE GMBH (DE) | 1997-06-05 | — | — | WO | disclosed |