Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.43 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | PTGER1 | P34995 | 7/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | DPP4 | P27487 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10153305 | 0.87 | MEN1 (0.46) | MEN1KMT2AMAPTCYP2C9POLB | |
| SCHEMBL10154056 | 0.86 | MEN1 (0.45) | MEN1KMT2AMAPTCYP2C9POLB | |
| SCHEMBL9952002 | 0.86 | MEN1 (0.45) | MEN1KMT2AMAPTCYP2C9POLB | |
| SCHEMBL11787179 | 0.76 | MEN1 (0.47) | MEN1KMT2AMAPTCYP2C9POLB | |
| SCHEMBL9959325 | 0.74 | APP (0.42) | MEN1KMT2AMAPTALDH1A1HPGD | |
| SCHEMBL10153698 | 0.74 | ALDH1A1 (0.39) | MEN1KMT2AMAPTCYP2C9GAA | |
| SCHEMBL9960564 | 0.74 | TRPA1 (0.38) | MEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL9959247 | 0.74 | ALDH1A1 (0.42) | MEN1KMT2AMAPTPOLBGAA | |
| SCHEMBL10153594 | 0.74 | ACHE (0.45) | MEN1KMT2AMAPTPTGER1NPC1 | |
| SCHEMBL11788765 | 0.73 | KDM4E (0.38) | MEN1KMT2ACYP2C9CYP2C19GAA |
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 3 patents. 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 | claimed |
| 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 |
| 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 |