Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 13/20 | 0.46 |
| ▸ | RAB9A | P51151 | 13/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.46 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.46 |
| ▸ | RELA | Q04206 | 2/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | GAA | P10253 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | GFER | P55789 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7447463 | 0.77 | NPC1 (0.72) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL6673467 | 0.76 | NPC1 (0.71) | NPC1RAB9AALDH1A1KDM4EMAPT | |
| SCHEMBL14914339 | 0.75 | HDAC6 (0.51) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL6637018 | 0.75 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL6634815 | 0.74 | NPC1 (0.52) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL30937423 | 0.74 | HDAC6 (0.62) | NPC1RAB9ASMN1; SMN2KDM4EHDAC6 | |
| SCHEMBL19339630 | 0.72 | HDAC6 (0.48) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL8026765 | 0.72 | MAPT (0.47) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 | |
| SCHEMBL6775295 | 0.72 | HDAC6 (0.64) | NPC1RAB9ALMNAHDAC6 | |
| SCHEMBL7415015 | 0.72 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2L3MBTL1TP53 |
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-2000050419-A1 | SUBSTITUTED BICYCLIC HETEROCYCLES AND THE USE THEREOF AS THROMBIN INHIBITORS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2000-08-31 | — | — | WO | disclosed |