Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | PREP | P48147 | 6/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.33 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.33 |
| ▸ | BMPR1B | O00238 | 1/20 | 0.33 |
| ▸ | BMPR1A | P36894 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | ACVRL1 | P37023 | 1/20 | 0.33 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13108431 | 1.00 | KMT2A (0.60) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL13099504 | 1.00 | KMT2A (0.60) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL13099500 | 0.94 | MEN1 (0.67) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL13108659 | 0.94 | MEN1 (0.67) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL15970246 | 0.94 | MEN1 (0.67) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL13108662 | 0.82 | KMT2A (0.87) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL3266573 | 0.82 | KMT2A (0.87) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL13099490 | 0.82 | KMT2A (0.87) | KMT2AMEN1PREPALDH1A1CYP2C19 | |
| SCHEMBL13108381 | 0.77 | KMT2A (0.62) | KMT2AMEN1ALDH1A1CYP2C19HPGD | |
| SCHEMBL13099617 | 0.77 | KMT2A (0.62) | KMT2AMEN1ALDH1A1CYP2C19HPGD |
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-2010037050-A2 | SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS | UNIVERSITY OF KANSAS (US) | 2010-04-01 | — | — | WO | disclosed |