Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACP1 | P24666 | 2/20 | 0.50 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.39 |
| ▸ | MAT2A | P31153 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.39 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.39 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.36 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.35 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8140367 | 0.86 | ACP1 (0.46) | ACP1ADORA3F2RL3MAT2ADHODH | |
| SCHEMBL15483442 | 0.84 | ACP1 (0.44) | ACP1ADORA3F2RL3MAT2ADHODH | |
| SCHEMBL13954094 | 0.83 | ACP1 (0.44) | ACP1ADORA3F2RL3MAT2ADHODH | |
| SCHEMBL13924286 | 0.82 | APP (0.40) | ACP1TLR9TLR7PTGDRAPP | |
| SCHEMBL12335705 | 0.74 | ACP1 (0.44) | ACP1TLR9TLR7PTGDRAPP | |
| SCHEMBL8273105 | 0.74 | SYK (0.50) | ACP1APPKDM4ENPC1RAB9A | |
| SCHEMBL8186120 | 0.73 | ACP1 (0.45) | ACP1ADORA3F2RL3MAT2ADHODH | |
| SCHEMBL8191159 | 0.73 | DHODH (0.46) | ACP1ADORA3F2RL3MAT2ADHODH | |
| SCHEMBL13444511 | 0.72 | ALDH1A1 (0.47) | PTGDRAPPKDM4EMEN1NPC1 | |
| SCHEMBL13409339 | 0.72 | APP (0.44) | ACP1TLR9TLR7PTGDRAPP |
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-2004094452-A2 | MACROCYCLIC ISOQUINOLINE PEPTIDE INHIBITORS OF HEPATITIS C VIRUS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-11-04 | — | — | WO | disclosed |