Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | HNF4A | P41235 | 1/20 | 0.42 |
| ▸ | PYGL | P06737 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | LCK | P06239 | 1/20 | 0.40 |
| ▸ | FYN | P06241 | 1/20 | 0.40 |
| ▸ | KCNK2 | O95069 | 1/20 | 0.40 |
| ▸ | KCNK10 | P57789 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL20107631 | 0.88 | KDM4E (0.45) | KDM4EHSD17B10ALDH1A1RXRAHNF4A | |
| SCHEMBL1487907 | 0.85 | KDM4E (0.51) | KDM4EHSD17B10TSHRALDH1A1RXRA | |
| SCHEMBL20107970 | 0.79 | KDM4E (0.49) | KDM4EALDH1A1CYP1A2CYP2C9POLB | |
| SCHEMBL7348455 | 0.79 | ALDH1A1 (0.43) | KDM4EHSD17B10ALDH1A1RXRAHNF4A | |
| SCHEMBL20107595 | 0.78 | KDM4E (0.50) | KDM4EHSD17B10ALDH1A1RXRAHNF4A | |
| SCHEMBL19684853 | 0.78 | TSHR (0.51) | KDM4EHSD17B10TSHRLCKFYN | |
| SCHEMBL1965983 | 0.78 | ALDH1A1 (0.53) | KDM4EHSD17B10ALDH1A1RXRAHNF4A | |
| SCHEMBL20107888 | 0.76 | DHODH (0.47) | KDM4EPYGLNPSR1MEN1MAPT | |
| SCHEMBL5612784 | 0.76 | KDM4E (0.55) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL20521864 | 0.76 | KDM4E (0.51) | KDM4EALDH1A1RXRAHNF4ACYP1A2 |
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-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 |