Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.48 |
| ▸ | MAPT | P10636 | 5/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 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 | |
|---|---|---|---|---|
| SCHEMBL6530019 | 0.83 | TSHR (0.42) | ALDH1A1MAPTPOLBL3MBTL1GAA | |
| SCHEMBL5793627 | 0.82 | TSHR (0.41) | ALDH1A1MAPTPOLBL3MBTL1GAA | |
| SCHEMBL11461137 | 0.78 | ALDH1A1 (0.55) | ALDH1A1MAPTPOLBL3MBTL1TSHR | |
| SCHEMBL30534316 | 0.78 | ATM (0.46) | ALDH1A1POLBL3MBTL1GAATSHR | |
| SCHEMBL4619736 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MAPTPOLBL3MBTL1TSHR | |
| SCHEMBL10256974 | 0.77 | ALDH1A1 (0.53) | ALDH1A1MAPTPOLBL3MBTL1TSHR | |
| Bromide SCHEMBL15818841 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MAPTPOLBL3MBTL1TSHR | |
| SCHEMBL12014374 | 0.75 | ALDH1A1 (0.52) | ALDH1A1MAPTPOLBL3MBTL1TSHR | |
| SCHEMBL56403 | 0.74 | TSHR (0.63) | ALDH1A1MAPTL3MBTL1GAATSHR | |
| SCHEMBL8735577 | 0.74 | ALDH1A1 (0.50) | ALDH1A1MAPTPOLBL3MBTL1GAA |
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 |