Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
| ▸ | YAP1 | P46937 | 1/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | CFTR | P13569 | 2/20 | 0.38 |
| ▸ | ABL1 | P00519 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | CASP3 | P42574 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL23970466 | 1.00 | PTGER4 (0.50) | PTGER4YAP1ALOX15ROCK2ALDH1A1 | |
| SCHEMBL17009810 | 0.84 | PTGER4 (0.42) | PTGER4YAP1ALOX15ALDH1A1KDM4E | |
| SCHEMBL5116377 | 0.79 | PTGER4 (0.62) | PTGER4YAP1ALOX15ALDH1A1KDM4E | |
| SCHEMBL24928885 | 0.77 | PTGER4 (0.43) | PTGER4ALOX15ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL23648008 | 0.76 | ABL1 (0.51) | PTGER4ALOX15ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL29771218 | 0.76 | ABL1 (0.51) | PTGER4ALOX15ALDH1A1KDM4EHSD17B10 | |
| SCHEMBL6782184 | 0.75 | ALDH1A1 (0.46) | PTGER4YAP1ROCK2ALDH1A1KDM4E | |
| SCHEMBL6782179 | 0.75 | ALDH1A1 (0.46) | PTGER4YAP1ROCK2ALDH1A1KDM4E | |
| SCHEMBL23970709 | 0.74 | ROCK2 (0.51) | YAP1ALOX15ROCK2ALDH1A1KDM4E | |
| SCHEMBL30850093 | 0.74 | ROCK2 (0.51) | YAP1ALOX15ROCK2ALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115551862-B | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2024-04-12 | — | — | CN | disclosed |
| CN-115551862-A | Macrocyclic inhibitors of peptidyl arginine deiminase | 吉利德科学公司 | 2022-12-30 | — | — | CN | disclosed |