Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 10/20 | 0.55 |
| ▸ | RAB9A | P51151 | 9/20 | 0.55 |
| ▸ | GAA | P10253 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 2/20 | 0.52 |
| ▸ | CA9 | Q16790 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 9/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | TP53 | P04637 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | HTT | P42858 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PPARG | P37231 | 1/20 | 0.49 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.49 |
| ▸ | NCOA1 | Q15788 | 1/20 | 0.49 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7976170 | 0.89 | ITK (0.48) | NPC1RAB9AGAACA12CA9 | |
| SCHEMBL10139808 | 0.89 | P2RY6 (0.53) | NPC1RAB9AGAACA12CA9 | |
| SCHEMBL10139885 | 0.86 | MAPT (0.60) | NPC1RAB9AGAAKDM4ESMN1; SMN2 | |
| SCHEMBL10139923 | 0.84 | CBFB (0.50) | NPC1RAB9AGAAKDM4ESMN1; SMN2 | |
| SCHEMBL7976986 | 0.84 | CHEK2 (0.53) | NPC1RAB9AKDM4ESMN1; SMN2ALDH1A1 | |
| SCHEMBL7982667 | 0.84 | CHEK2 (0.52) | P2RY6 | |
| SCHEMBL10140793 | 0.84 | F9 (0.41) | NPC1RAB9AGAACA12CA9 | |
| SCHEMBL10139913 | 0.84 | F9 (0.43) | NPC1RAB9AGAAKDM4ESMN1; SMN2 | |
| SCHEMBL7969435 | 0.83 | CHEK2 (0.65) | — | |
| SCHEMBL7971018 | 0.82 | HSD17B10 (0.37) | NPC1RAB9AGAACA12CA9 |
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-2805939-A1 | Heterocyclic compounds as factor IXA inhibitors. | Merck Sharp & Dohme Corp. (US) | 2014-11-26 | — | — | EP | disclosed |
| WO-2009143039-A2 | HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS | SCHERING CORPORATION (US) | 2009-11-26 | — | — | WO | disclosed |