Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9959015 | 0.81 | MEN1 (0.49) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL11789850 | 0.79 | ALDH1A1 (0.43) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9958576 | 0.78 | KMT2A (0.40) | MEN1KMT2ACYP1A2CYP3A4CYP2C9 | |
| SCHEMBL9958985 | 0.77 | KDM4E (0.39) | MEN1KMT2ACYP1A2ALDH1A1KDM4E | |
| SCHEMBL9952800 | 0.75 | ATM (0.42) | MEN1KMT2AALDH1A1KDM4EPOLB | |
| SCHEMBL19380301 | 0.74 | HDAC3 (0.40) | MEN1KMT2ACYP1A2CYP3A4ALDH1A1 | |
| SCHEMBL19380274 | 0.74 | HDAC4 (0.44) | MEN1KMT2AALDH1A1KDM4ELMNA | |
| SCHEMBL9958705 | 0.73 | HDAC4 (0.62) | MEN1KMT2AALDH1A1KDM4EPOLB | |
| SCHEMBL10153609 | 0.72 | MEN1 (0.47) | MEN1KMT2APOLBLMNAL3MBTL1 | |
| SCHEMBL31653962 | 0.72 | MEN1 (0.47) | MEN1KMT2APOLBLMNAL3MBTL1 |
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 |