Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 8/20 | 0.35 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.34 |
| ▸ | GPR119 | Q8TDV5 | 2/20 | 0.33 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
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 | 0.88 | IDO1 (0.41) | NPC1RAB9ANR1H2MEN1KMT2A | |
| SCHEMBL10117696 | 0.86 | NR1H2 (0.37) | NPC1RAB9ANR1H2MEN1KMT2A | |
| SCHEMBL24176651 | 0.81 | NR1H2 (0.38) | NR1H2AAK1TTKGPR119NR1H3 | |
| SCHEMBL10117534 | 0.78 | NR1H2 (0.40) | NR1H2DHFREGFRERBB2MEN1 | |
| SCHEMBL13663132 | 0.77 | PTPN1 (0.53) | NPC1RAB9AMEN1KMT2A | |
| SCHEMBL13655217 | 0.76 | NR1H2 (0.35) | NR1H2AAK1TTKGPR119NR1H3 | |
| SCHEMBL24176882 | 0.75 | CFTR (0.38) | NR1H2EGFRTTK | |
| SCHEMBL13655220 | 0.74 | HDAC8 (0.43) | SMN1; SMN2NR1H2MEN1KMT2AAAK1 | |
| SCHEMBL10117510 | 0.74 | MEN1 (0.45) | NPC1RAB9ASMN1; SMN2NR1H2DHFR | |
| SCHEMBL24176646 | 0.74 | HDAC2 (0.35) | NPC1RAB9ASMN1; SMN2NR1H2AAK1 |
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 |