Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | RXRA | P19793 | 1/20 | 0.45 |
| ▸ | HNF4A | P41235 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.40 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.40 |
| ▸ | MPO | P05164 | 1/20 | 0.40 |
| ▸ | LCLAT1 | Q6UWP7 | 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 | |
|---|---|---|---|---|
| SCHEMBL5612784 | 0.89 | KDM4E (0.55) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL20107610 | 0.86 | KDM4E (0.49) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL1487907 | 0.85 | KDM4E (0.51) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL20505135 | 0.84 | CYP1A2 (0.50) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL1496822 | 0.83 | RXRA (0.55) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL7345021 | 0.83 | KDM4E (0.48) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL3784235 | 0.83 | KDM4E (0.63) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL24697707 | 0.82 | PTGDR2 (0.43) | KDM4EALDH1A1HSD17B10GLAMAPK1 | |
| SCHEMBL16424144 | 0.81 | ALDH1A1 (0.57) | KDM4EALDH1A1RXRAHNF4ACYP1A2 | |
| SCHEMBL978291 | 0.79 | KDM4E (0.71) | KDM4EALDH1A1CYP1A2CYP2C9CYP2C19 |
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-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 |