Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 4/20 | 0.48 |
| ▸ | PARP1 | P09874 | 3/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.47 |
| ▸ | PGR | P06401 | 1/20 | 0.45 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9742140 | 0.86 | CHRM5 (0.49) | CHRM5PARP1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9739497 | 0.85 | MAPT (0.46) | CHRM5PARP1PGRMDM2AKR1B1 | |
| SCHEMBL9744849 | 0.85 | PARP1 (0.46) | PARP1ALDH1A1KDM4ESMN1; SMN2CYP3A4 | |
| SCHEMBL9743611 | 0.85 | PARP1 (0.46) | CHRM5PARP1ALDH1A1KDM4ECYP3A4 | |
| SCHEMBL9743475 | 0.83 | CHRM5 (0.45) | CHRM5PARP1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9742083 | 0.83 | CHRM5 (0.43) | CHRM5PARP1SLC6A3SLC6A2SLC6A4 | |
| SCHEMBL9739008 | 0.83 | SMN1; SMN2 (0.55) | CHRM5SLC6A3SLC6A2SLC6A4PGR | |
| SCHEMBL9738615 | 0.83 | CHRM5 (0.46) | CHRM5PGRMDM2AKR1B1NPC1 | |
| SCHEMBL9739810 | 0.82 | PARP1 (0.47) | CHRM5PARP1NPC1TSHRCYP3A4 | |
| SCHEMBL9740111 | 0.81 | SLC6A2 (0.43) | CHRM5SLC6A3SLC6A2SLC6A4NPC1 |
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-1992016529-A1 | NOVEL ISOINDOLE DERIVATIVES AND MEDICAMENTS CONTAINING THEM | BOEHRINGER MANNHEIM GMBH (DE) | 1992-10-01 | — | — | WO | disclosed |