Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | FDPS | P14324 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1345858 | 0.77 | RAB9A (0.58) | RAB9ANPC1SMN1; SMN2TDP1FDPS | |
| SCHEMBL418384 | 0.76 | RAB9A (0.57) | RAB9ANPC1SMN1; SMN2FDPSOPRD1 | |
| SCHEMBL13389039 | 0.75 | RAB9A (0.55) | RAB9ANPC1SMN1; SMN2FDPSOPRD1 | |
| SCHEMBL3313595 | 0.74 | ALDH1A1 (0.59) | RAB9ANPC1SMN1; SMN2FDPSOPRD1 | |
| SCHEMBL29515990 | 0.74 | RAB9A (0.54) | RAB9ANPC1SMN1; SMN2FDPSOPRD1 | |
| SCHEMBL13379459 | 0.73 | RAB9A (0.54) | RAB9ANPC1SMN1; SMN2TDP1FDPS | |
| SCHEMBL17381155 | 0.73 | RAB9A (0.57) | RAB9ANPC1SMN1; SMN2TDP1CYP1A2 | |
| SCHEMBL9341301 | 0.73 | TDP1 (0.58) | SMN1; SMN2TDP1CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL697594 | 0.73 | RAB9A (0.46) | RAB9ANPC1SMN1; SMN2FDPSOPRD1 | |
| SCHEMBL697826 | 0.73 | RAB9A (0.41) | RAB9ANPC1SMN1; SMN2TDP1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-8383094-B2 | inhibit the function of the NS5A protein encoded by Hepatitis C virus (HCV); useful in establishing or determining the binding site of other antiviral compounds, for example, by competitive inhibition; used to treat or prevent viral contamination of materials | BRISTOL-MYERS SQUIBB COMPANY (US) | 2013-02-26 | — | — | US | disclosed |