Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | GCGR | P47871 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 4/20 | 0.36 |
| ▸ | IKBKB | O14920 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.34 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.34 |
| ▸ | CASP3 | P42574 | 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 | |
|---|---|---|---|---|
| SCHEMBL22112683 | 0.87 | THRB (0.38) | SLC6A3SLC6A4HTR3AGCGRMAPT | |
| SCHEMBL24309370 | 0.87 | PTGS2 (0.35) | SLC6A3SLC6A4HTR3AGCGRMAPT | |
| SCHEMBL30725440 | 0.70 | NPC1 (0.33) | MAPTNPC1 | |
| SCHEMBL24309245 | 0.67 | SLC6A3 (0.40) | SLC6A3SLC6A4GCGRIKBKBKDM4E | |
| SCHEMBL6371032 | 0.66 | HTR3A (0.63) | HTR3AGCGR | |
| SCHEMBL6219192 | 0.66 | HTR3A (0.63) | HTR3AGCGR | |
| SCHEMBL25277112 | 0.65 | HTR3A (0.43) | SLC6A3SLC6A4HTR3AGCGRMAPT | |
| SCHEMBL22095437 | 0.64 | SLC6A3 (0.48) | SLC6A3SLC6A4HTR3AMAPTIKBKB | |
| SCHEMBL22095713 | 0.64 | TUBB4A (0.51) | SLC6A3SLC6A4HTR3AGCGRMAPT | |
| SCHEMBL25222265 | 0.63 | HTR3A (0.39) | SLC6A3SLC6A4HTR3AGCGRMAPT |
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 |