Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 1/20 | 0.53 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 5/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 4/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | ALPL | P05186 | 1/20 | 0.40 |
| ▸ | CHEK1 | O14757 | 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 | |
|---|---|---|---|---|
| SCHEMBL15766246 | 0.84 | ABL1 (0.50) | ABL1NR4A2SLC6A4SLC6A3RXFP1 | |
| SCHEMBL3533537 | 0.81 | LMNA (0.47) | MEN1KMT2ALMNAALDH1A1NPC1 | |
| SCHEMBL4278397 | 0.81 | ABL1 (0.53) | ABL1NR4A2SLC6A4SLC6A3RXFP1 | |
| SCHEMBL10153310 | 0.81 | NR4A2 (0.47) | NR4A2SLC6A3ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL10154075 | 0.81 | SLC6A4 (0.43) | SLC6A4SLC6A3ALDH1A1KDM4ENPC1 | |
| SCHEMBL10153993 | 0.79 | NPC1 (0.50) | ABL1SLC6A4SLC6A3ALDH1A1KDM4E | |
| SCHEMBL15075786 | 0.79 | ABL1 (0.54) | ABL1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL2535669 | 0.78 | ABL1 (0.54) | ABL1NR4A2SLC6A4SLC6A3RXFP1 | |
| SCHEMBL4234236 | 0.77 | SMN1; SMN2 (0.49) | ABL1MEN1KMT2AALDH1A1KDM4E | |
| SCHEMBL9961071 | 0.77 | SMN1; SMN2 (0.57) | MEN1KMT2ALMNAALDH1A1KDM4E |
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 |