Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | F10 | P00742 | 7/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | F2 | P00734 | 1/20 | 0.40 |
| ▸ | LCK | P06239 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5434250 | 0.86 | NPC1 (0.49) | NPC1RAB9ATSHRHPGDSMN1; SMN2 | |
| SCHEMBL4687839 | 0.82 | F10 (0.46) | F10 | |
| SCHEMBL4691171 | 0.80 | NPC1 (0.46) | NPC1RAB9ATSHRHPGDSMN1; SMN2 | |
| SCHEMBL4691272 | 0.79 | NPC1 (0.48) | NPC1RAB9ATSHRHPGDSMN1; SMN2 | |
| SCHEMBL5429983 | 0.72 | NPC1 (0.50) | NPC1RAB9ATSHRHPGDSMN1; SMN2 | |
| SCHEMBL4690862 | 0.69 | F10 (0.44) | F10F2 | |
| SCHEMBL5438310 | 0.68 | NPC1 (0.52) | NPC1RAB9ATSHRHPGDSMN1; SMN2 | |
| SCHEMBL5428982 | 0.68 | NPC1 (0.52) | NPC1RAB9ATSHRHPGDSMN1; SMN2 | |
| SCHEMBL5443489 | 0.67 | HPGD (0.54) | NPC1RAB9ATSHRHPGDSMN1; SMN2 | |
| SCHEMBL4693183 | 0.67 | NPC1 (0.51) | NPC1RAB9ATSHRHPGDSMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1603572-A4 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2008-06-25 | — | — | EP | disclosed |
| EP-1603572-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | Bristol-Myers Squibb Company (US) | 2005-12-14 | — | — | EP | disclosed |
| WO-2004082687-A1 | LACTAM-CONTAINING CYCLIC DIAMINES AND DERIVATIVES AS FACTOR XA INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-09-30 | — | — | WO | disclosed |