Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.40 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10154056 | 0.88 | MEN1 (0.45) | MEN1KMT2AMAPTPOLBCYP2C9 | |
| SCHEMBL9959325 | 0.88 | APP (0.42) | MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9960564 | 0.87 | TRPA1 (0.38) | MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL10153698 | 0.87 | ALDH1A1 (0.39) | MEN1KMT2AMAPTCYP2C9GAA | |
| SCHEMBL9959247 | 0.87 | ALDH1A1 (0.42) | MEN1KMT2AMAPTPOLBGAA | |
| SCHEMBL9953482 | 0.87 | MEN1 (0.48) | MEN1KMT2AMAPTPOLBCYP2C9 | |
| SCHEMBL10153594 | 0.87 | ACHE (0.45) | MEN1KMT2AMAPTSMN1; SMN2PTGER1 | |
| SCHEMBL9958850 | 0.87 | MEN1 (0.43) | MEN1KMT2AMAPTPOLBCYP2C9 | |
| SCHEMBL10153293 | 0.85 | ACHE (0.45) | MEN1KMT2AMAPTPOLBSMN1; SMN2 | |
| SCHEMBL10153644 | 0.83 | ALDH1A1 (0.42) | MAPTCYP2C9L3MBTL1GAASMN1; SMN2 |
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 |