Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 5/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 5/20 | 0.35 |
| ▸ | TPSAB1 | Q15661 | 1/20 | 0.35 |
| ▸ | TPSD1 | Q9BZJ3 | 1/20 | 0.35 |
| ▸ | TPSG1 | Q9NRR2 | 1/20 | 0.35 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
| ▸ | GNAI3 | P08754 | 1/20 | 0.34 |
| ▸ | GNAO1 | P09471 | 1/20 | 0.34 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.34 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL19629 | 0.83 | CASP1 (0.60) | CASP1ALDH1A1GAATSHRTDP1 | |
| Hydrochloric Acid SCHEMBL15158064 | 0.79 | CASP1 (0.44) | CASP1ALDH1A1GAATSHRPKM | |
| SCHEMBL14037434 | 0.78 | TSHR (0.44) | CASP1ALDH1A1GAATSHRPKM | |
| Acetic Acid SCHEMBL28331584 | 0.78 | CASP1 (0.58) | CASP1ALDH1A1GAATSHRTDP1 | |
| SCHEMBL3597232 | 0.78 | TDP1 (0.44) | ALDH1A1GAATSHRPKMITGB3 | |
| Propionic Acid SCHEMBL13280009 | 0.77 | CASP1 (0.60) | CASP1ALDH1A1GAATSHRPKM | |
| Hydrochloric Acid SCHEMBL2942254 | 0.77 | GNAI3 (0.44) | ALDH1A1GAAPKMITGB3ITGA2B | |
| SCHEMBL8556452 | 0.75 | GNAI3 (0.43) | ALDH1A1ITGB3ITGA2BHTR4GNAI3 | |
| SCHEMBL23521223 | 0.75 | ALDH1A1 (0.45) | CASP1ALDH1A1GAATSHRPKM | |
| SCHEMBL16649239 | 0.75 | ALDH1A1 (0.42) | CASP1ALDH1A1GAATSHRPKM |
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-1988078-A1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | Ortho-McNeil Pharmaceutical, Inc. (US) | 2008-11-05 | — | — | EP | disclosed |
| CN-1286684-A | Carboxamide derivs. of pyrrolidine, piperidine and hexahydroazepine for treatment of thrombosis disorders | ORTHO PHARMA CORP (US) | 2001-03-07 | — | — | CN | disclosed |
| EP-0923555-A1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1999-06-23 | — | — | EP | disclosed |
| WO-1997041102-A1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO PHARMACEUTICAL CORPORATION (US) | 1997-11-06 | — | — | WO | disclosed |