Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.71 |
| ▸ | RAB9A | P51151 | 5/20 | 0.71 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.64 |
| ▸ | GAA | P10253 | 2/20 | 0.61 |
| ▸ | DHODH | Q02127 | 2/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.58 |
| ▸ | TERT | O14746 | 1/20 | 0.57 |
| ▸ | TOP1 | P11387 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | CASP3 | P42574 | 1/20 | 0.55 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.55 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.54 |
| ▸ | SLC16A3 | O15427 | 1/20 | 0.54 |
| ▸ | PPARG | P37231 | 1/20 | 0.54 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL20541898 | 0.91 | NPC1 (0.64) | NPC1RAB9ADEGS1GAADHODH | |
| SCHEMBL17915382 | 0.90 | NPC1 (0.59) | NPC1RAB9ADEGS1GAADHODH | |
| SCHEMBL18347014 | 0.89 | NPC1 (0.58) | NPC1RAB9ADEGS1GAADHODH | |
| SCHEMBL6627530 | 0.88 | NPC1 (0.69) | NPC1RAB9ADEGS1GAADHODH | |
| SCHEMBL18347022 | 0.87 | TRPV1 (0.61) | NPC1RAB9ADEGS1GAADHODH | |
| SCHEMBL18347006 | 0.86 | NPC1 (0.56) | NPC1RAB9ADEGS1GAADHODH | |
| SCHEMBL18347008 | 0.86 | SIRT2 (0.58) | NPC1RAB9ADEGS1GAADHODH | |
| SCHEMBL8337049 | 0.86 | MEN1 (0.68) | NPC1RAB9AMEN1KMT2ACASP3 | |
| SCHEMBL8335659 | 0.85 | ALOX5 (0.65) | NPC1RAB9ADEGS1MEN1KMT2A | |
| SCHEMBL21870332 | 0.83 | NPC1 (1.00) | NPC1RAB9ADEGS1GAADHODH |
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-2004101494-A1 | CALPAIN INHIBITORS | CONSEJO SUPERIOR DE INVESTIGACIONES CIENTÍFICAS (ES) | 2004-11-25 | — | — | WO | disclosed |