Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | DHODH | Q02127 | 7/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | XBP1 | P17861 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20107619 | 0.92 | DHODH (0.46) | KDM4EDHODHALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20107685 | 0.92 | DHODH (0.51) | KDM4EDHODH | |
| SCHEMBL20107888 | 0.90 | DHODH (0.47) | KDM4EDHODHNPSR1MAPTHTT | |
| SCHEMBL20107627 | 0.86 | KDM4E (0.46) | KDM4EDHODHALDH1A1NPSR1CYP1A2 | |
| SCHEMBL25910497 | 0.84 | DHODH (0.52) | DHODH | |
| SCHEMBL20107602 | 0.79 | DHODH (0.49) | KDM4EDHODHALDH1A1CYP1A2CYP2C9 | |
| SCHEMBL20107681 | 0.79 | KDM4E (0.47) | KDM4EALDH1A1NPSR1CYP1A2CYP2C9 | |
| SCHEMBL20107966 | 0.79 | DHODH (0.64) | DHODH | |
| SCHEMBL29513015 | 0.79 | DHODH (0.64) | DHODH | |
| SCHEMBL21853496 | 0.79 | DHODH (0.64) | DHODH |
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 |