Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 8/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 3/20 | 0.32 |
| ▸ | KCNK9 | Q9NPC2 | 3/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | BCL2 | P10415 | 1/20 | 0.31 |
| ▸ | BECN1 | Q14457 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10117698 | 0.92 | IDO1 (0.41) | NR1H2IDO1NR1H3HRH2HRH1 | |
| SCHEMBL10117875 | 0.86 | NPC1 (0.35) | NR1H2IDO1NR1H3AAK1MEN1 | |
| SCHEMBL24176651 | 0.77 | NR1H2 (0.38) | NR1H2NR1H3AAK1 | |
| SCHEMBL13655217 | 0.74 | NR1H2 (0.35) | NR1H2NR1H3GABRA2AAK1 | |
| SCHEMBL10117534 | 0.74 | NR1H2 (0.40) | NR1H2IDO1NR1H3KCNK3KCNK9 | |
| SCHEMBL10117508 | 0.72 | NPC1 (0.41) | NR1H2IDO1MEN1NPC1RAB9A | |
| SCHEMBL10117536 | 0.72 | MTOR (0.38) | NR1H2IDO1MEN1KMT2ABCL2 | |
| SCHEMBL13663132 | 0.71 | PTPN1 (0.53) | MEN1NPC1RAB9AKMT2A | |
| SCHEMBL10117537 | 0.71 | RAB9A (0.49) | NR1H2IDO1NPC1RAB9A | |
| SCHEMBL13655220 | 0.71 | HDAC8 (0.43) | NR1H2AAK1MEN1KMT2A |
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-2012087976-A2 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-06-28 | — | — | WO | disclosed |