Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | ROCK2 | O75116 | 10/20 | 0.36 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | SYK | P43405 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | APAF1 | O14727 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GRM5 | P41594 | 1/20 | 0.35 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.34 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | TNIK | Q9UKE5 | 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 | |
|---|---|---|---|---|
| SCHEMBL22688255 | 1.00 | MAOB (0.39) | MAOBROCK2ROCK1CCR2SYK | |
| SCHEMBL21900955 | 0.92 | PDGFRB (0.36) | ROCK2ROCK1SYKGRM5PIK3CA | |
| SCHEMBL21900948 | 0.90 | CDC7 (0.41) | ROCK2ROCK1CCR2SYKGRM5 | |
| SCHEMBL29536029 | 0.90 | CDC7 (0.41) | ROCK2ROCK1CCR2SYKGRM5 | |
| SCHEMBL23887925 | 0.89 | MKNK1 (0.37) | ROCK2ROCK1SYK | |
| SCHEMBL23887959 | 0.89 | MAOB (0.36) | MAOBROCK2ROCK1CCR2SYK | |
| SCHEMBL30176928 | 0.89 | MAOB (0.36) | MAOBROCK2ROCK1CCR2SYK | |
| SCHEMBL26321523 | 0.86 | ALDH1A1 (0.38) | ROCK2ROCK1CCR2SYKKDM4E | |
| SCHEMBL21901248 | 0.81 | GRM5 (0.37) | KDM4EMEN1ALDH1A1MAPTMAPK1 | |
| SCHEMBL22655827 | 0.79 | CDC7 (0.39) | ROCK2ROCK1CCR2SYKKDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114096542-B | Condensed tricyclic pyrroles as alpha-1 antitrypsin modulators | 弗特克斯药品有限公司 | 2024-09-10 | — | — | CN | disclosed |
| EP-4126877-A1 | PYRROLO[2,3-F]INDAZOLE AND 2,4,5,10-TETRAZATRICYCLO[7.3.0.03,7]DODECA-1,3(7),5,8,11-PENTAENE DERIVATIVES AS ALPHA-1-ANTITRYPSIN MODULATORS FOR TREATING ALPHA-1-ANTITRYPSIN DEFICIENCY (AATD) | Vertex Pharmaceuticals Incorporated (US) | 2023-02-08 | — | — | EP | disclosed |
| EP-3969440-A1 | CONDENSED TRICYCLIC PYRROLES AS ALPHA-1 ANTITRYPSIN MODULATORS | Vertex Pharmaceuticals Incorporated (US) | 2022-03-23 | — | — | EP | disclosed |