Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNA5 | P22460 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9953442 | 0.90 | KCNA5 (0.53) | KCNA5CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL9953409 | 0.88 | POLB (0.50) | KCNA5SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL10153615 | 0.87 | SCN9A (0.54) | KCNA5SMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL9958520 | 0.84 | ERCC1 (0.47) | KCNA5 | |
| SCHEMBL9958635 | 0.83 | ALDH1A1 (0.50) | PKMSMN1; SMN2ALDH1A1LMNAHTT | |
| SCHEMBL9959558 | 0.82 | KCNA5 (0.46) | KCNA5CYP3A4CYP2C9PKMCYP2C19 | |
| SCHEMBL10153604 | 0.80 | KCNA5 (0.47) | KCNA5SMN1; SMN2ALDH1A1LMNATP53 | |
| SCHEMBL11800163 | 0.79 | KCNA5 (0.55) | KCNA5ALDH1A1LMNA | |
| SCHEMBL10153314 | 0.78 | KMT2A (0.54) | KCNA5SMN1; SMN2ALDH1A1HTTKMT2A | |
| SCHEMBL19380274 | 0.78 | HDAC4 (0.44) | KCNA5SMN1; SMN2ALDH1A1LMNAHTT |
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-2012085003-A1 | 2-HYDROXYISOQUINOLINE-1,3(2H,4H)-DIONES AND RELATED COMPOUNDS USEFUL AS HIV REPLICATION INHIBITORS | KATHOLIEKE UNIVERSITEIT LEUVEN, K.U. LEUVEN R&D (BE) | 2012-06-28 | — | — | WO | disclosed |