Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | PLAU | P00749 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9125523 | 0.76 | NPC1 (0.58) | NPC1RAB9APLAUPOLBMAOB | |
| SCHEMBL9115108 | 0.76 | ALDH1A1 (0.54) | RAB9APOLBCASP3LMNAMAPT | |
| SCHEMBL27786325 | 0.75 | NPC1 (0.57) | NPC1RAB9APLAUPOLBMAOB | |
| SCHEMBL11289604 | 0.75 | GAA (0.53) | NPC1RAB9APOLBSMN1; SMN2MAPT | |
| SCHEMBL7407714 | 0.73 | RXFP1 (0.51) | POLBSMN1; SMN2MAPTHTTALDH1A1 | |
| SCHEMBL21779531 | 0.73 | DNMT1 (0.69) | NPC1RAB9APLAUPOLBMAOB | |
| SCHEMBL15516309 | 0.73 | NPC1 (0.66) | NPC1RAB9APLAUPOLBMAOB | |
| SCHEMBL2035775 | 0.73 | NPC1 (0.54) | NPC1RAB9APOLBMAOBMGLL | |
| SCHEMBL2233522 | 0.72 | NPC1 (0.69) | NPC1RAB9APLAUPOLBMAOB | |
| SCHEMBL30522295 | 0.72 | NPC1 (0.69) | NPC1RAB9APLAUPOLBMAOB |
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-1997014685-A1 | PYRIMIDINE DERIVATIVES | GYÓGYSZERKUTATÓ INTÉZET KFT (HU) | 1997-04-24 | — | — | WO | disclosed |