Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 3/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 6/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12128120 | 0.90 | AAK1 (0.49) | AAK1MAOBMAOAKDM4EMEN1 | |
| SCHEMBL3746625 | 0.82 | FFAR1 (0.49) | AAK1KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL31195886 | 0.81 | MAOB (0.44) | AAK1MAOBMAOAARNOS3 | |
| SCHEMBL24697702 | 0.81 | AAK1 (0.47) | AAK1MAOBMAOAAR | |
| SCHEMBL8149842 | 0.81 | AR (0.38) | AAK1MAOBMAOAKDM4EMEN1 | |
| SCHEMBL18122079 | 0.81 | AR (0.52) | AAK1KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL16422592 | 0.81 | AR (0.47) | KDM4EMEN1USP2ALDH1A1HSP90AA1 | |
| SCHEMBL20107968 | 0.79 | AR (0.39) | AAK1KDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL8522538 | 0.79 | ALDH1A1 (0.47) | KDM4EMEN1USP2ALDH1A1HSP90AA1 | |
| SCHEMBL16071292 | 0.78 | AAK1 (0.53) | AAK1MAOBMAOAAR |
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-3532468-B1 | 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH | BAYER AG (DE) | 2022-03-23 | — | — | EP | disclosed |
| WO-2018077923-A1 | 2,4,5-TRISUBSTITUTED 1,2,4-TRIAZOLONES USEFUL AS INHIBITORS OF DHODH | BAYER AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | disclosed |
| WO-2018077944-A2 | 4,5-ANNULATED 1,2,4-TRIAZOLONES | BAYER AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | disclosed |