Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F10 | P00742 | 16/20 | 0.59 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL76575 | 0.93 | F10 (0.69) | F10NPC1MAPTCYP1A2POLB | |
| SCHEMBL77720 | 0.89 | F10 (0.60) | F10NPC1MAPT | |
| SCHEMBL76354 | 0.86 | F10 (0.57) | F10NPC1MAPTCYP1A2POLB | |
| SCHEMBL77469 | 0.86 | F10 (0.53) | F10NPC1MAPTTDP1 | |
| SCHEMBL14311444 | 0.86 | F10 (0.51) | F10NPC1MAPTCYP1A2POLB | |
| SCHEMBL8269738 | 0.85 | NPC1 (0.63) | F10NPC1 | |
| SCHEMBL75813 | 0.85 | NPC1 (0.63) | F10NPC1 | |
| SCHEMBL85161 | 0.85 | F10 (0.62) | F10NPC1MAPTPOLB | |
| SCHEMBL85110 | 0.84 | F10 (0.60) | F10NPC1MAPT | |
| SCHEMBL76164 | 0.83 | F10 (0.51) | F10NPC1MAPT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004087646-A2 | PYRROLIDINO-1,2-DICARBOXY-1-(PHENYLAMIDE)-2-(4-(3-OXO-MORPHOLINO-4-YL)-PHENYLAMIDE) DERIVATIVES AND RELATED COMPOUNDS FOR USE AS INHIBITORS OF COAGULATION FACTOR XA IN THE TREATMENT OF THROMBO-EMBOLIC DISEASES | MERCK PATENT GMBH (DE) | 2004-10-14 | — | — | WO | disclosed |