Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | HDAC1 | Q13547 | 4/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | MMP2 | P08253 | 2/20 | 0.42 |
| ▸ | MMP9 | P14780 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP14 | P50281 | 1/20 | 0.42 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL30744196 | 1.00 | ALDH1A1 (0.53) | ALDH1A1MAPTGSK3BHDAC1HDAC7 | |
| SCHEMBL7746342 | 0.89 | CA12 (0.53) | ALDH1A1HDAC1HDAC7CA12CA9 | |
| SCHEMBL23501303 | 0.87 | CYP3A4 (0.48) | ALDH1A1HDAC1HDAC7CA12CA9 | |
| SCHEMBL23501434 | 0.85 | ALDH1A1 (0.53) | ALDH1A1MAPTGSK3BHDAC1HDAC7 | |
| SCHEMBL24032681 | 0.82 | MMP2 (0.51) | ALDH1A1HDAC1HDAC7CA12CA9 | |
| SCHEMBL30320978 | 0.81 | MMP2 (0.49) | ALDH1A1HDAC1HDAC7CA12CA9 | |
| SCHEMBL24032683 | 0.81 | MMP2 (0.49) | ALDH1A1HDAC1HDAC7CA12CA9 | |
| SCHEMBL23501346 | 0.78 | KMT2A (0.40) | ALDH1A1MAPTHDAC1HDAC7CA12 | |
| SCHEMBL111498 | 0.77 | KMT2A (0.42) | ALDH1A1MAPTHDAC1HDAC7CA12 | |
| SCHEMBL23000416 | 0.76 | MMP2 (0.45) | ALDH1A1HDAC1HDAC7CA12CA9 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112979675-A | Small-molecule sulfur-containing heterocyclic compound | 维眸生物科技（上海）有限公司 | 2021-06-18 | — | — | CN | disclosed |
| WO-2021115495-A1 | SMALL-MOLECULE SULFUR-CONTAINING HETEROCYCLIC COMPOUND | 维眸生物科技（上海）有限公司 | 2021-06-17 | — | — | WO | disclosed |