Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 2/20 | 0.35 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.35 |
| ▸ | KRAS | P01116 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GFER | P55789 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL24127740 | 1.00 | PDE10A (0.42) | PDE10ACYP19A1KDM4EALDH1A1KMT2A | |
| SCHEMBL20665754 | 0.83 | KDM4E (0.49) | PDE10ACYP19A1KDM4EALDH1A1RAB9A | |
| SCHEMBL26038698 | 0.79 | PDE10A (0.44) | PDE10ACYP19A1KDM4EALDH1A1KMT2A | |
| SCHEMBL24827580 | 0.78 | PDE10A (0.45) | PDE10ACYP19A1KDM4EALDH1A1KMT2A | |
| SCHEMBL24128224 | 0.77 | CYP2A6 (0.48) | CYP19A1KDM4EALDH1A1GAARAB9A | |
| SCHEMBL29720635 | 0.77 | CYP2A6 (0.48) | CYP19A1KDM4EALDH1A1GAARAB9A | |
| SCHEMBL18997515 | 0.76 | NPC1 (0.47) | PDE10ACYP19A1KDM4EKMT2AGAA | |
| SCHEMBL24128044 | 0.76 | PRKCI (0.44) | PDE10ACYP19A1KDM4EALDH1A1KMT2A | |
| SCHEMBL29720453 | 0.76 | PRKCI (0.44) | PDE10ACYP19A1KDM4EALDH1A1KMT2A | |
| SCHEMBL20665240 | 0.75 | MEN1 (0.46) | PDE10ACYP19A1KDM4EKMT2ARAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-4168414-A1 | SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | Shy Therapeutics LLC (US) | 2023-04-26 | — | — | EP | disclosed |
| WO-2021257828-A9 | SUBSTITUTED THIENOPYRIMIDINES THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY THERAPEUTICS, LLC (US) | 2022-07-21 | — | — | WO | disclosed |