Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.65 |
| ▸ | RAB9A | P51151 | 4/20 | 0.65 |
| ▸ | CYP11B2 | P19099 | 7/20 | 0.59 |
| ▸ | CYP11B1 | P15538 | 6/20 | 0.59 |
| ▸ | CYP17A1 | P05093 | 4/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.50 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.49 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL13409348 | 0.89 | NPC1 (0.58) | NPC1RAB9ACYP11B2CYP11B1CYP17A1 | |
| SCHEMBL8352665 | 0.85 | NPC1 (0.64) | NPC1RAB9ACYP11B2CYP11B1CYP17A1 | |
| SCHEMBL1536354 | 0.85 | NPC1 (0.64) | NPC1RAB9ACYP11B2CYP11B1CYP17A1 | |
| SCHEMBL8300158 | 0.84 | NPC1 (0.59) | NPC1RAB9ACYP11B2CYP11B1KDM4E | |
| SCHEMBL2154845 | 0.77 | NPC1 (0.64) | NPC1RAB9ACYP11B2CYP11B1CYP17A1 | |
| SCHEMBL2154762 | 0.77 | NPC1 (0.64) | NPC1RAB9ACYP11B2CYP11B1CYP17A1 | |
| SCHEMBL14731273 | 0.77 | NPC1 (0.59) | NPC1RAB9ACYP11B2CYP11B1CYP17A1 | |
| SCHEMBL8273117 | 0.76 | MTNR1A (0.42) | NPC1RAB9AKDM4EALDH1A1CYP3A4 | |
| SCHEMBL12335705 | 0.76 | ACP1 (0.44) | NPC1RAB9AKDM4EALDH1A1HSD17B10 | |
| SCHEMBL12463992 | 0.76 | NPC1 (0.48) | NPC1RAB9AKDM4EALDH1A1HPGD |
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-2006000085-A1 | HEPATITIS C INHIBITOR PEPTIDE ANALOGS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-01-05 | — | — | WO | disclosed |