Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGES2 | Q9H7Z7 | 4/20 | 0.56 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.56 |
| ▸ | SLC40A1 | Q9NP59 | 3/20 | 0.55 |
| ▸ | PGR | P06401 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | NFKBIA | P25963 | 2/20 | 0.48 |
| ▸ | RELA | Q04206 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | CASP6 | P55212 | 1/20 | 0.47 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.47 |
| ▸ | SGK1 | O00141 | 1/20 | 0.46 |
| ▸ | EDNRA | P25101 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL2740997 | 0.85 | MCL1 (0.62) | PTGES2MCL1SLC40A1PGRTDP1 | |
| SCHEMBL1071611 | 0.82 | PTGES2 (0.56) | PTGES2MCL1SLC40A1TDP1NFKBIA | |
| SCHEMBL9616556 | 0.81 | MEN1 (0.56) | PTGES2MCL1SLC40A1MEN1KMT2A | |
| SCHEMBL30737723 | 0.79 | PTGES2 (0.56) | PTGES2SLC40A1TDP1NFKBIARELA | |
| SCHEMBL8664272 | 0.79 | PTGES2 (0.56) | PTGES2MCL1SLC40A1PGRTDP1 | |
| SCHEMBL30737510 | 0.79 | CA1 (0.50) | PTGES2SLC40A1TDP1NFKBIARELA | |
| SCHEMBL22234033 | 0.79 | BRD4 (0.59) | PTGES2MCL1SLC40A1PGRPKM | |
| SCHEMBL29540769 | 0.79 | BRD4 (0.59) | PTGES2MCL1SLC40A1PGRPKM | |
| SCHEMBL4192989 | 0.78 | MCL1 (0.70) | PTGES2MCL1SLC40A1SLC22A12ALDH1A1 | |
| SCHEMBL4184006 | 0.76 | ALDH1A1 (0.66) | PTGES2SLC40A1MEN1KMT2AALDH1A1 |
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-117510460-A | Benzo [ b ] thiophene derivative containing sulfonamide unit, and preparation method and application thereof | 贵州大学 | 2024-02-06 | — | — | CN | disclosed |