Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | RPS6KA2 | Q15349 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.42 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.41 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153594 | 0.90 | ACHE (0.45) | ACHERAB9ANPC1SMN1; SMN2KMT2A | |
| SCHEMBL10153995 | 0.88 | GRM4 (0.44) | RAB9ANPC1SMN1; SMN2MAPTKCNK9 | |
| SCHEMBL9959325 | 0.87 | APP (0.42) | ACHEKMT2AMEN1MAPTMAPK1 | |
| SCHEMBL10153644 | 0.87 | ALDH1A1 (0.42) | ACHERPS6KA2RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL10153305 | 0.85 | MEN1 (0.46) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL10153698 | 0.83 | ALDH1A1 (0.39) | KMT2AMEN1MAPTUSP2 | |
| SCHEMBL9959247 | 0.83 | ALDH1A1 (0.42) | ACHESMN1; SMN2KMT2AMEN1MAPT | |
| SCHEMBL9960564 | 0.83 | TRPA1 (0.38) | KMT2AMEN1MAPT | |
| SCHEMBL10153686 | 0.82 | MEN1 (0.46) | RAB9ANPC1SMN1; SMN2KMT2AMEN1 | |
| SCHEMBL9958850 | 0.82 | MEN1 (0.43) | KMT2AMEN1MAPTMAPK1POLB |
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 |