Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | MMP12 | P39900 | 1/20 | 0.44 |
| ▸ | NR3C2 | P08235 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 4/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.41 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18305033 | 0.83 | NR3C2 (0.49) | KDM4EALDH1A1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL28909618 | 0.82 | NR3C2 (0.43) | NR3C2TRPV1NR3C1PGR | |
| SCHEMBL12405056 | 0.80 | NR3C2 (0.48) | KDM4EALDH1A1RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL23830447 | 0.72 | TRPV1 (0.45) | ALDH1A1SMN1; SMN2MMP12NR3C2MAPT | |
| SCHEMBL13343865 | 0.71 | BRD4 (0.57) | KDM4EALDH1A1MAPTPARP1HPGD | |
| SCHEMBL5362061 | 0.71 | DRD4 (0.59) | PARP1 | |
| SCHEMBL29120487 | 0.71 | ALDH1A1 (0.59) | ALDH1A1MMP12MAPTTRPV1 | |
| SCHEMBL30674772 | 0.71 | ALDH1A1 (0.59) | ALDH1A1MMP12MAPTTRPV1 | |
| SCHEMBL28907822 | 0.70 | PDE4B (0.52) | KDM4EALDH1A1SMN1; SMN2MMP12NR3C2 | |
| SCHEMBL4180037 | 0.70 | HRH3 (0.54) | TRPV1 |
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-107873031-B | Benzoxazinone derivatives and analogs thereof as modulators of TNF activity | UCB生物制药私人有限公司 | 2021-03-12 | — | — | CN | disclosed |