Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | PPID | Q08752 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.39 |
| ▸ | PIN4 | Q9Y237 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | LTA4H | P09960 | 1/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153971 | 0.82 | POLB (0.50) | POLBALDH1A1NPSR1SMN1; SMN2CYP1A2 | |
| SCHEMBL10153604 | 0.82 | KCNA5 (0.47) | POLBALDH1A1NPSR1SMN1; SMN2MEN1 | |
| SCHEMBL10153314 | 0.80 | KMT2A (0.54) | ALDH1A1NPSR1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL10153707 | 0.79 | KMT2A (0.55) | ALDH1A1NPSR1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL9952669 | 0.78 | KMT2A (0.54) | ALDH1A1NPSR1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL10153662 | 0.78 | KMT2A (0.54) | ALDH1A1NPSR1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL9959705 | 0.78 | KMT2A (0.54) | ALDH1A1NPSR1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL9959242 | 0.78 | KMT2A (0.54) | ALDH1A1NPSR1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL9952553 | 0.78 | KMT2A (0.54) | ALDH1A1NPSR1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL10154090 | 0.78 | KCNA5 (0.47) | ALDH1A1SMN1; SMN2MEN1KMT2A |
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 |