Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | TACR1 | P25103 | 4/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.31 |
| ▸ | CCR5 | P51681 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1306189 | 0.86 | ALDH1A1 (0.35) | MEN1ALDH1A1KMT2AKCNH2CCR5 | |
| SCHEMBL988772 | 0.83 | ALDH1A1 (0.39) | MEN1ALDH1A1KMT2AKCNH2CCR5 | |
| SCHEMBL1306995 | 0.83 | ALDH1A1 (0.42) | MEN1ALDH1A1KMT2AKCNH2 | |
| SCHEMBL4939731 | 0.79 | HRH3 (0.37) | ALDH1A1 | |
| SCHEMBL16633564 | 0.78 | CCR5 (0.32) | MEN1ALDH1A1KMT2ACCR5 | |
| SCHEMBL28851402 | 0.78 | HTR2A (0.31) | MEN1ALDH1A1KMT2A | |
| SCHEMBL1307534 | 0.77 | CCR5 (0.35) | MEN1ALDH1A1KMT2AKCNH2CCR5 | |
| SCHEMBL16372187 | 0.77 | OPRL1 (0.34) | — | |
| SCHEMBL600511 | 0.77 | ACACB (0.32) | MEN1ALDH1A1KMT2ACCR5 | |
| SCHEMBL2694217 | 0.76 | MEN1 (0.38) | MEN1KMT2A |
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-2011006794-A9 | 3-OXO-2, 3-DIHYDRO-1H-ISOINDOLE-4-CARBOXAMIDES AS PARP INHIBITORS | NERVIANO MEDICAL SCIENCES S.R.L. (IT) | 2011-05-05 | — | — | WO | disclosed |