Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARL | Q9H300 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | CA4 | P22748 | 2/20 | 0.44 |
| ▸ | CA6 | P23280 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA3 | P07451 | 1/20 | 0.44 |
| ▸ | CA5A | P35218 | 1/20 | 0.44 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.44 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.44 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL1076218 | 0.78 | PKM (0.56) | PARLPKMCA1CA2CYP2C9 | |
| SCHEMBL752816 | 0.75 | CA1 (0.65) | PARLPKMCA1CA2CA4 | |
| SCHEMBL28053766 | 0.71 | PKM (0.57) | PARLPKMCA1CA2CYP2C9 | |
| SCHEMBL1996382 | 0.70 | HTR6 (0.64) | CA1CA2CA12CA9HTR6 | |
| SCHEMBL12546389 | 0.70 | L3MBTL1 (0.46) | PARLPKMCYP2C9CYP3A4CYP2C19 | |
| SCHEMBL12569759 | 0.69 | PKM (0.60) | PARLPKMCA1CA2CYP2C9 | |
| SCHEMBL1647468 | 0.69 | PKM (0.56) | PARLPKMCA1CA2CA4 | |
| SCHEMBL28195638 | 0.69 | PKM (0.56) | PARLPKMHTR6MAPTPOLB | |
| SCHEMBL4614396 | 0.69 | PKM (0.56) | PARLPKMCA1CA2CYP2C9 | |
| SCHEMBL12674582 | 0.69 | KLKB1 (0.51) | PARLPKMCA1CA2HTR6 |
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-2020123994-A1 | 2-((5-(PHENYL)-PYRROLO[2,1-F][1,2,4]TRIAZIN-4-YL)AMINO)-3-(PHENYL)PROPANOIC ACID DERIVATIVES AND RELATED COMPOUNDS AS MCL-1 ENZYME INHIBITORS FOR TREATING CANCER | PRELUDE THERAPEUTICS, INCORPORATED (US) | 2020-06-18 | — | — | WO | disclosed |