Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD3 | P35462 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.49 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | MDM4 | O15151 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12545656 | 0.90 | ALDH1A1 (0.57) | DRD2DRD3KCNH2NOTUMALDH1A1 | |
| SCHEMBL10224198 | 0.89 | ALDH1A1 (0.52) | DRD2DRD3KCNH2NOTUMALDH1A1 | |
| SCHEMBL11816455 | 0.87 | ALDH1A1 (0.43) | DRD2DRD3KCNH2ALDH1A1CYP3A4 | |
| SCHEMBL10224255 | 0.84 | DRD2 (0.47) | DRD2DRD3KCNH2NOTUMALDH1A1 | |
| SCHEMBL23134683 | 0.81 | CRBN (0.64) | DRD2DRD3KCNH2NOTUMALDH1A1 | |
| SCHEMBL10224168 | 0.80 | DRD2 (0.47) | DRD2DRD3KCNH2NOTUMGRM2 | |
| SCHEMBL10169499 | 0.79 | L3MBTL1 (0.61) | DRD2DRD3KCNH2NOTUMALDH1A1 | |
| SCHEMBL26375318 | 0.79 | DDB1 (0.47) | DRD2DRD3KCNH2NOTUMALDH1A1 | |
| SCHEMBL16786522 | 0.79 | DRD2 (0.50) | DRD2DRD3KCNH2NOTUMALDH1A1 | |
| SCHEMBL29793670 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CYP3A4HPGDCYP1A2CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020252151-A1 | COT MODULATORS AND METHODS OF USE THEREOF | GILEAD SCIENCES, INC. (US) | 2020-12-17 | — | — | WO | disclosed |