Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | GAA | P10253 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.44 |
| ▸ | CES1 | P23141 | 1/20 | 0.44 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10441996 | 1.00 | ALDH1A1 (0.47) | ALDH1A1ALOX15TDP1LMNAPOLB | |
| SCHEMBL6640647 | 0.91 | ALDH1A1 (0.45) | ALDH1A1ALOX15TDP1LMNAPOLB | |
| SCHEMBL14605537 | 0.89 | CES2 (0.57) | ALDH1A1TDP1LMNASMN1; SMN2KDM4E | |
| SCHEMBL5528116 | 0.89 | GPR35 (0.50) | ALDH1A1TDP1LMNAPOLBSMN1; SMN2 | |
| SCHEMBL1671664 | 0.84 | LMNA (0.58) | ALDH1A1ALOX15TDP1LMNAPOLB | |
| SCHEMBL5776628 | 0.83 | GAA (0.42) | ALDH1A1ALOX15TDP1LMNAPOLB | |
| SCHEMBL5776625 | 0.83 | GAA (0.42) | ALDH1A1ALOX15TDP1LMNAPOLB | |
| SCHEMBL23301981 | 0.82 | ALDH1A1 (0.43) | ALDH1A1ALOX15TDP1LMNAPOLB | |
| SCHEMBL16563920 | 0.82 | MEN1 (0.52) | ALDH1A1ALOX15TDP1LMNAPOLB | |
| SCHEMBL23301982 | 0.82 | ALDH1A1 (0.43) | ALDH1A1ALOX15TDP1LMNAPOLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |