Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.37 |
| ▸ | MAPT | P10636 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA5A | P35218 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL5211180 | 0.88 | NPC1 (0.39) | SMN1; SMN2NPC1RAB9ALMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL5209105 | 0.88 | TP53 (0.38) | SMN1; SMN2NPC1RAB9ALMNAHTT | |
| Trifluoroacetic Acid SCHEMBL5207907 | 0.86 | MAPT (0.43) | NPC1RAB9ALMNAMAPTMEN1 | |
| Trifluoroacetic Acid SCHEMBL5210737 | 0.85 | F2 (0.38) | MAPTMEN1KMT2AACP1 | |
| Trifluoroacetic Acid SCHEMBL5208921 | 0.84 | PCSK9 (0.39) | SMN1; SMN2NPC1RAB9AHTTALDH1A1 | |
| SCHEMBL5207728 | 0.83 | NPC1 (0.43) | SMN1; SMN2NPC1RAB9ALMNAALDH1A1 | |
| SCHEMBL5208349 | 0.82 | F2 (0.40) | NPC1MAPTCYP3A4CA2MAOB | |
| SCHEMBL7432548 | 0.82 | TP53 (0.41) | SMN1; SMN2NPC1RAB9ALMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4809424 | 0.81 | CYP3A4 (0.47) | SMN1; SMN2NPC1RAB9ALMNAALDH1A1 | |
| Trifluoroacetic Acid SCHEMBL4807315 | 0.81 | CYP3A4 (0.47) | SMN1; SMN2NPC1RAB9ALMNAALDH1A1 |
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-1343561-B1 | SERINE PROTEASE INHIBITORS | TULARIK LTD (GB) | 2007-02-28 | — | — | EP | disclosed |
| 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 |