Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.37 |
| ▸ | RAB9A | P51151 | 5/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.37 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.37 |
| ▸ | RELA | Q04206 | 2/20 | 0.37 |
| ▸ | STAT1 | P42224 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5208572 | 0.95 | F2 (0.40) | NPC1RAB9AHPGDNFKB1NFKB2 | |
| SCHEMBL6996710 | 0.90 | NPC1 (0.43) | NPC1RAB9AHPGDNFKB1NFKB2 | |
| SCHEMBL5208349 | 0.88 | F2 (0.40) | NPC1F2ADRA2CCYP3A4MAPT | |
| SCHEMBL5207728 | 0.84 | NPC1 (0.43) | NPC1RAB9AHPGDNFKB1NFKB2 | |
| Trifluoroacetic Acid SCHEMBL5211180 | 0.80 | NPC1 (0.39) | NPC1RAB9AHPGDF2ADRA2C | |
| SCHEMBL6991435 | 0.80 | F2 (0.35) | NPC1RAB9AF2KDM4EADRA2C | |
| SCHEMBL7432548 | 0.79 | TP53 (0.41) | NPC1RAB9AHPGDF2KDM4E | |
| SCHEMBL6988918 | 0.78 | ADRA2C (0.52) | NPC1RAB9AADRA2CKMT2AGAA | |
| Trifluoroacetic Acid SCHEMBL5210737 | 0.77 | F2 (0.38) | F2ADRA2CKMT2AMAPTPKM | |
| Trifluoroacetic Acid SCHEMBL7432339 | 0.77 | LMNA (0.37) | NPC1RAB9AHPGDF2KDM4E |
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-1343561-A1 | SERINE PROTEASE INHIBITORS | Tularik Limited (GB) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002047762-A1 | SERINE PROTEASE INHIBITORS | TULARIK LIMITED (GB) | 2002-06-20 | — | — | WO | disclosed |