Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | GFER | P55789 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11147808 | 1.00 | ALDH1A1 (0.49) | ALDH1A1GAARIPK1MAPTGFER | |
| SCHEMBL11042586 | 1.00 | ALDH1A1 (0.49) | ALDH1A1GAARIPK1MAPTGFER | |
| SCHEMBL17048718 | 0.89 | ALDH1A1 (0.38) | ALDH1A1GAAKDM4EPSMB8PSMB5 | |
| SCHEMBL11040692 | 0.89 | ALDH1A1 (0.38) | ALDH1A1GAACYP2C9CYP2C19HDAC6 | |
| SCHEMBL17048800 | 0.81 | MET (0.43) | ALDH1A1GAAMET | |
| SCHEMBL11041797 | 0.80 | ALDH1A1 (0.36) | ALDH1A1GAAMAPTSMN1; SMN2KDM4E | |
| SCHEMBL11040633 | 0.77 | L3MBTL1 (0.41) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL17048984 | 0.77 | HPGD (0.40) | ALDH1A1GAAMAPTSMN1; SMN2LMNA | |
| SCHEMBL19716587 | 0.76 | CES2 (0.34) | ALDH1A1 | |
| SCHEMBL3295518 | 0.76 | ALDH1A1 (0.36) | ALDH1A1GAAMAPTGFERLMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4051671-A1 | FLUORINATED QUINOLINE, QUINOXALINE AND BENZO[B][1,4]OXAZINE DERIVATIVES AS DIHYDROOROTATE DEHYDROGENASE (DHODH) INHIBITORS FOR THE TREATMENT OF CANCER, AUTOIMMUNE AND INFLAMMATORY DISEASES | Janssen Biotech, Inc. (US) | 2022-09-07 | — | — | EP | disclosed |
| CN-114630826-A | Fluorinated quinoline, quinoxaline and benzo [ b ] [1,4] oxazine derivatives as dihydroorotate dehydrogenase (DHODH) inhibitors for the treatment of cancer, autoimmune and inflammatory diseases | 詹森生物科技公司 | 2022-06-14 | — | — | CN | disclosed |