Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | CD274 | Q9NZQ7 | 6/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6640137 | 0.97 | KMT2A (0.43) | MEN1KMT2ARAB9ASLC6A2SLC6A4 | |
| SCHEMBL21408620 | 0.94 | MEN1 (0.49) | MEN1KMT2ARAB9ASLC6A2SLC6A4 | |
| SCHEMBL6329476 | 0.84 | ALDH1A1 (0.49) | ALDH1A1GRIN2BKCNH2 | |
| SCHEMBL6324148 | 0.83 | KDM4E (0.39) | CD274HRH3NPSR1ALDH1A1GRIN2B | |
| SCHEMBL6322030 | 0.81 | ALDH1A1 (0.52) | GAAALDH1A1GRIN2BKCNH2 | |
| SCHEMBL6331308 | 0.81 | KDM4E (0.42) | CD274HRH3NPSR1ALDH1A1OPRM1 | |
| SCHEMBL6322714 | 0.80 | KDM4E (0.38) | CD274GAAHRH3NPSR1ALDH1A1 | |
| SCHEMBL6328543 | 0.80 | GPR39 (0.39) | GAANPSR1ALDH1A1KCNH2 | |
| SCHEMBL6324190 | 0.77 | KDM4E (0.40) | GAAHRH3NPSR1ALDH1A1GLA | |
| SCHEMBL6331061 | 0.77 | GPR39 (0.41) | KMT2AGAANPSR1LMNAALDH1A1 |
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-1140871-A4 | THROMBIN OR FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB PHARMA CO (US) | 2004-05-06 | — | — | EP | disclosed |
| EP-1140941-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| EP-1140871-A1 | THROMBIN OR FACTOR XA INHIBITORS | Du Pont Pharmaceuticals Company (US) | 2001-10-10 | — | — | EP | disclosed |
| WO-2000039108-A1 | THROMBIN OR FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |
| WO-2000039131-A1 | NITROGEN CONTAINING HETEROBICYCLES AS FACTOR XA INHIBITORS | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-07-06 | — | — | WO | disclosed |