Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 1/20 | 0.38 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.38 |
| ▸ | NOD1 | Q9Y239 | 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 | |
|---|---|---|---|---|
| SCHEMBL10153293 | 0.90 | ACHE (0.45) | ACHERAB9AMEN1KMT2ANPC1 | |
| SCHEMBL9959325 | 0.89 | APP (0.42) | ACHEMEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL10153305 | 0.87 | MEN1 (0.46) | RAB9AMEN1KMT2ANPC1ALDH1A1 | |
| SCHEMBL10153995 | 0.86 | GRM4 (0.44) | RAB9ANPC1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL10153644 | 0.85 | ALDH1A1 (0.42) | ACHERAB9ANPC1ALDH1A1MAPT | |
| SCHEMBL10153698 | 0.85 | ALDH1A1 (0.39) | NPSR1MEN1KMT2ALMNAALDH1A1 | |
| SCHEMBL9960564 | 0.85 | TRPA1 (0.38) | MEN1KMT2ALMNAALDH1A1MAPT | |
| SCHEMBL9959247 | 0.85 | ALDH1A1 (0.42) | ACHEMEN1KMT2AALDH1A1MAPT | |
| SCHEMBL10153686 | 0.84 | MEN1 (0.46) | RAB9ANPSR1MEN1KMT2ALMNA | |
| SCHEMBL9958850 | 0.84 | MEN1 (0.43) | NPSR1MEN1KMT2AALDH1A1MAPT |
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 |