Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.50 |
| ▸ | FBP1 | P09467 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | EIF4E | P06730 | 1/20 | 0.45 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 2/20 | 0.44 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.44 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.44 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6225897 | 0.88 | ABCB1 (0.50) | ABCB1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL6225496 | 0.85 | CRHBP (0.54) | ABCB1SMN1; SMN2ABCC1ALOX5MAPK1 | |
| SCHEMBL3033529 | 0.83 | FBP1 (0.52) | FBP1NPC1RAB9ACASP3SENP7 | |
| SCHEMBL6225598 | 0.82 | FBP1 (0.55) | ABCB1FBP1NPC1RAB9ACASP3 | |
| SCHEMBL6225781 | 0.80 | ABCB1 (0.46) | ABCB1NPC1RAB9AMAPTSMN1; SMN2 | |
| SCHEMBL4405072 | 0.79 | CYP1A2 (0.53) | ABCB1FBP1NPC1RAB9ACASP3 | |
| SCHEMBL4414605 | 0.79 | FBP1 (0.49) | ABCB1FBP1NPC1RAB9ACASP3 | |
| SCHEMBL4414607 | 0.79 | FBP1 (0.49) | ABCB1FBP1NPC1RAB9ACASP3 | |
| SCHEMBL5237976 | 0.78 | ALDH1A1 (0.54) | ABCB1FBP1NPC1RAB9ACASP3 | |
| SCHEMBL29655122 | 0.77 | TDP1 (0.65) | ABCB1FBP1NPC1RAB9ACASP3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1534689-A1 | NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2005-06-01 | — | — | EP | disclosed |
| WO-2004024702-A1 | NOVEL CARBOXAMIDE COMPOUNDS HAVING AN MCH-ANTAGONISTIC EFFECT, MEDICAMENTS CONTAINING SAID COMPOUNDS, AND METHODS FOR THE PRODUCTION THEREOF | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2004-03-25 | — | — | WO | disclosed |