Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | CASR | P41180 | 1/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 3/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.40 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | CDC42 | P60953 | 1/20 | 0.40 |
| ▸ | RAC1 | P63000 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL13728566 | 0.86 | ACP1 (0.47) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL8348782 | 0.86 | NPC1 (0.47) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL28033683 | 0.85 | NPC1 (0.46) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL13730043 | 0.83 | NPC1 (0.49) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL8272309 | 0.83 | NPC1 (0.57) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL8348779 | 0.82 | PDGFRB (0.47) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL13728430 | 0.82 | KMO (0.45) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL8351874 | 0.81 | APP (0.48) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL8186120 | 0.80 | ACP1 (0.45) | NPC1RAB9ACASP3SENP7KDM4E | |
| SCHEMBL8272618 | 0.78 | KDM4E (0.45) | NPC1RAB9ACASP3SENP7KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103797024-B | Hepatitis c virus inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 2016-06-01 | — | — | CN | disclosed |
| CN-104918941-A | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2015-09-16 | — | — | CN | disclosed |