Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AR | P10275 | 10/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.36 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | AAK1 | Q2M2I8 | 4/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.34 |
| ▸ | S1PR1 | P21453 | 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 | |
|---|---|---|---|---|
| SCHEMBL23862114 | 0.88 | AAK1 (0.37) | ARTRPV4AAK1 | |
| SCHEMBL3288183 | 0.87 | ALDH1A1 (0.43) | ARKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL27427354 | 0.81 | CYP11B1 (0.42) | ARKDM4EMAPTHSD17B10TRPV4 | |
| SCHEMBL20108197 | 0.79 | AAK1 (0.44) | ARKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL3746625 | 0.78 | FFAR1 (0.49) | ARKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL20107668 | 0.77 | ALDH1A1 (0.44) | ARALDH1A1 | |
| SCHEMBL12128120 | 0.76 | AAK1 (0.49) | ARKDM4EMEN1USP2ALDH1A1 | |
| SCHEMBL21463047 | 0.76 | DHODH (0.37) | ARS1PR1S1PR3S1PR5 | |
| SCHEMBL20107965 | 0.76 | DHODH (0.37) | ARS1PR1S1PR3S1PR5 | |
| SCHEMBL29512855 | 0.76 | DHODH (0.37) | ARS1PR1S1PR3S1PR5 |
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 5 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-2019197269-A1 | COMBINATIONS OF COPANLISIB WITH TRIAZOLONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF CANCER | BAYER AKTIENGESELLSCHAFT (DE) | 2019-10-17 | — | — | WO | disclosed |
| EP-3553052-A1 | 5-OXO-4,5-DIHYDRO-1H-1,2,4-TRIAZOL DERIVATIVES FOR THE TREATMENT OF CANCER | Bayer AG (DE) | 2019-10-16 | — | — | EP | disclosed |
| WO-2018077944-A2 | 4,5-ANNULATED 1,2,4-TRIAZOLONES | BAYER AKTIENGESELLSCHAFT (DE) | 2018-05-03 | — | — | WO | 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 |