Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 3/20 | 0.36 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28787833 | 0.84 | ALDH1A1 (0.48) | ALDH1A1MEN1KMT2AATMNPSR1 | |
| SCHEMBL14375342 | 0.83 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2AATMNPSR1 | |
| SCHEMBL18980322 | 0.83 | KDM4E (0.36) | ALDH1A1SLC6A9HRH3KDM4ELIPE | |
| SCHEMBL14100030 | 0.81 | SLC6A9 (0.40) | ALDH1A1MEN1KMT2ASLC6A9HRH3 | |
| SCHEMBL3967181 | 0.81 | SLC6A9 (0.40) | ALDH1A1MEN1KMT2ASLC6A9HRH3 | |
| SCHEMBL24220960 | 0.81 | SLC6A9 (0.40) | ALDH1A1MEN1KMT2ASLC6A9HRH3 | |
| SCHEMBL13223389 | 0.81 | SLC6A9 (0.40) | ALDH1A1MEN1KMT2ASLC6A9HRH3 | |
| SCHEMBL7744888 | 0.81 | SLC6A9 (0.40) | ALDH1A1MEN1KMT2ASLC6A9HRH3 | |
| SCHEMBL1133814 | 0.81 | — | — | |
| SCHEMBL29299508 | 0.81 | SLC6A9 (0.40) | ALDH1A1MEN1KMT2ASLC6A9HRH3 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1988078-B1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | ORTHO MCNEIL PHARM INC (US) | 2012-10-17 | — | — | EP | disclosed |
| 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 |
| EP-0923555-B1 | CARBOXAMIDE DERIVATIVES OF PYRROLIDINE, PIPERIDINE AND HEXAHYDROAZEPINE FOR THE TREATMENT OF THROMBOSIS DISORDERS | ORTHO MCNEIL PHARM INC (US) | 2005-06-15 | — | — | EP | disclosed |
| EP-1184374-A1 | Carboxamide derivatives of pyrrolidine, piperidine and hexahydroazepine for the treatment of thrombosis disorders | ORTHO PHARMACEUTICAL CORPORATION (US) | 2002-03-06 | — | — | EP | disclosed |
| US-6069254-A | Carboxamide derivatives of piperidine for the treatment of thrombosis disorders | ORTHO PHARMACEUTICAL CORP. (US) | 2000-05-30 | — | — | US | disclosed |