Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 1.00 |
| ▸ | RAB9A | P51151 | 13/20 | 1.00 |
| ▸ | ALDH1A1 | P00352 | 9/20 | 1.00 |
| ▸ | MAPT | P10636 | 6/20 | 1.00 |
| ▸ | POLB | P06746 | 3/20 | 1.00 |
| ▸ | HTT | P42858 | 2/20 | 1.00 |
| ▸ | MEN1 | O00255 | 1/20 | 1.00 |
| ▸ | APEX1 | P27695 | 1/20 | 1.00 |
| ▸ | MAPK1 | P28482 | 1/20 | 1.00 |
| ▸ | KMT2A | Q03164 | 1/20 | 1.00 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 1.00 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 1.00 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.48 |
| ▸ | TP53 | P04637 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.48 |
| ▸ | GAA | P10253 | 3/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | DHODH | Q02127 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL5738629 | 0.86 | NPC1 (0.76) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL1420384 | 0.79 | NPC1 (0.65) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL19322146 | 0.76 | NPC1 (0.60) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL972723 | 0.76 | NPC1 (0.77) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL5310036 | 0.76 | RAB9A (0.60) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL1419901 | 0.75 | MAPT (0.60) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL18038275 | 0.75 | DHODH (0.79) | NPC1RAB9AALDH1A1MAPTPOLB | |
| Bromide SCHEMBL1691886 | 0.74 | NPC1 (0.75) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL9096250 | 0.74 | ALDH1A1 (0.58) | NPC1RAB9AALDH1A1MAPTPOLB | |
| SCHEMBL5852628 | 0.73 | DHODH (0.63) | NPC1RAB9AALDH1A1MAPTPOLB |
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-2007039146-A1 | 4-CARBOXY PYRAZOLE DERIVATIVES AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORPORATION (US) | 2007-04-12 | — | — | WO | disclosed |