Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.34 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.34 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.34 |
| ▸ | IKBKB | O14920 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | F11 | P03951 | 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 | |
|---|---|---|---|---|
| SCHEMBL22112684 | 0.87 | SLC6A3 (0.36) | THRBNPSR1LMNAHTR3AGCGR | |
| SCHEMBL30725440 | 0.85 | NPC1 (0.33) | DGAT1MAPTNPC1F11 | |
| SCHEMBL24309370 | 0.84 | PTGS2 (0.35) | THRBNPSR1LMNAHTR3AGCGR | |
| SCHEMBL30725389 | 0.73 | DGAT1 (0.38) | DGAT1NPC1 | |
| SCHEMBL15050240 | 0.71 | NPC1 (0.34) | DGAT1MAPTNPC1F11 | |
| SCHEMBL25104434 | 0.71 | DGAT1 (0.38) | DGAT1NPC1SMN1; SMN2F11 | |
| SCHEMBL25439485 | 0.70 | GABRA5 (0.38) | NPSR1LMNADGAT1MAPTNPC1 | |
| SCHEMBL25104433 | 0.70 | F2RL1 (0.35) | DGAT1NPC1SMN1; SMN2 | |
| SCHEMBL68112 | 0.70 | DGAT1 (0.41) | DGAT1MAPTMAPK14NPC1RAB9A | |
| SCHEMBL1244925 | 0.70 | MAPT (0.37) | THRBDGAT1MAPTNPC1SMN1; 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-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 |