Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP4K4 | O95819 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.32 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21417380 | 0.82 | ALDH1A1 (0.50) | ALDH1A1HSD17B10CA6CA5ACA9 | |
| SCHEMBL10187271 | 0.78 | CES2 (0.41) | CA3CA6CA5ACA9CA14 | |
| SCHEMBL13811027 | 0.77 | MAP4K4 (0.40) | MAP4K4ALDH1A1LMNAMAPTCYP2C9 | |
| SCHEMBL16229877 | 0.74 | CA1 (0.54) | ALDH1A1LMNAESR2HSD17B10CA9 | |
| SCHEMBL16127616 | 0.74 | ALDH1A1 (0.48) | ALDH1A1LMNAMAPTHSD17B10TDP1 | |
| SCHEMBL22509494 | 0.73 | RAPGEF4 (0.34) | ALDH1A1MAPTHSD17B10TDP1TSHR | |
| SCHEMBL14140382 | 0.73 | KMT2A (0.42) | ALDH1A1LMNAMAPTTSHR | |
| SCHEMBL15886725 | 0.71 | DGAT1 (0.43) | ALDH1A1MAPTHSD17B10TSHR | |
| SCHEMBL15886702 | 0.70 | ERN1 (0.44) | TDP1 | |
| SCHEMBL18964856 | 0.70 | MPL (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3545956-B1 | 3,5-(UN)SUBSTITUTED-1H-PYRROLO[2,3-B]PYRIDINE, 1H-PYRAZOLO[3,4-B]PYRIDINE AND 5H- PYRROLO[2,3-B]PYRAZINE DUAL ITK AND JAK3 KINASE INHIBITORS | ARRIEN PHARMACEUTICALS LLC (US) | 2020-12-16 | — | — | EP | disclosed |