Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE2A | O00408 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.44 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MMP7 | P09237 | 1/20 | 0.44 |
| ▸ | MMP9 | P14780 | 1/20 | 0.44 |
| ▸ | MMP13 | P45452 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5028952 | 0.86 | ALDH1A1 (0.44) | PDE2APOLBFKBP1AALDH1A1CYP2D6 | |
| SCHEMBL19002801 | 0.85 | MMP1 (0.45) | PDE2APOLBFKBP1AAKR1C3BLM | |
| SCHEMBL19002794 | 0.85 | DRD3 (0.47) | PDE2APOLBFKBP1AALDH1A1HPGD | |
| SCHEMBL19049374 | 0.84 | L3MBTL1 (0.48) | PDE2AALDH1A1CYP2D6KDM4EHPGD | |
| SCHEMBL15864467 | 0.83 | USP30 (0.41) | PDE2AAKR1C3DRD3PDE4B | |
| SCHEMBL19049375 | 0.83 | MEN1 (0.46) | PDE2ACYP1A2CYP2D6GSK3B | |
| SCHEMBL17095010 | 0.83 | CASP6 (0.45) | PDE2ADRD3PDE4B | |
| SCHEMBL12468940 | 0.83 | MAOB (0.44) | AKR1C3ALDH1A1DRD3 | |
| SCHEMBL25453440 | 0.82 | USP30 (0.54) | PDE2APOLBCYP1A2CYP2D6DRD3 | |
| SCHEMBL19049384 | 0.82 | USP30 (0.54) | PDE2APOLBCYP1A2CYP2D6DRD3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3642209-B1 | COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE | SHY Therapeutics LLC (US) | 2023-11-29 | — | — | EP | disclosed |
| EP-3394056-B1 | COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE | SHY Therapeutics LLC (US) | 2021-04-14 | — | — | EP | disclosed |
| WO-2017112777-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE | SHY Therapeutics LLC (US) | 2017-06-29 | — | — | WO | disclosed |