Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 6/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 6/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.40 |
| ▸ | HTT | P42858 | 5/20 | 0.40 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 4/20 | 0.40 |
| ▸ | UBE2N | P61088 | 2/20 | 0.40 |
| ▸ | MITF | O75030 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8683108 | 0.87 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL15509357 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL29459411 | 0.86 | ALDH1A1 (0.49) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL14314495 | 0.86 | CYP1A2 (0.44) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL2437604 | 0.85 | CYP3A4 (0.53) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL29429255 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL869592 | 0.84 | ALDH1A1 (0.53) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL8142983 | 0.84 | ALDH1A1 (0.65) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL5668653 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAACYP1A2CYP2D6 | |
| SCHEMBL1593695 | 0.83 | ALDH1A1 (0.47) | ALDH1A1KDM4EGAACYP1A2CYP2D6 |
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-2020225330-A1 | DHODH INHIBITORS AND THEIR USE AS ANTIVIRAL AGENTS | UNIVERSITÄT HAMBURG (DE) | 2020-11-12 | — | — | WO | disclosed |