Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
| ▸ | PLK3 | Q9H4B4 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.34 |
| ▸ | CA1 | P00915 | 3/20 | 0.34 |
| ▸ | CA2 | P00918 | 3/20 | 0.34 |
| ▸ | CA9 | Q16790 | 3/20 | 0.34 |
| ▸ | CA3 | P07451 | 2/20 | 0.34 |
| ▸ | CA6 | P23280 | 2/20 | 0.34 |
| ▸ | CA5A | P35218 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | CA5B | Q9Y2D0 | 2/20 | 0.34 |
| ▸ | CA4 | P22748 | 1/20 | 0.34 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.34 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL10771899 | 0.74 | AGTR1 (0.39) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL13515814 | 0.67 | CA1 (0.58) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL1460934 | 0.64 | KDM4E (0.53) | CSNK2A1PLK3ALDH1A1MEN1KMT2A | |
| SCHEMBL27199981 | 0.60 | CSNK2A1 (1.00) | CSNK2A1PLK3ALDH1A1MEN1KMT2A | |
| SCHEMBL8432354 | 0.60 | HDAC1 (0.51) | CSNK2A1PLK3ALDH1A1KMT2ANPC1 | |
| SCHEMBL9830640 | 0.60 | HTR2B (0.60) | CSNK2A1PLK3ALDH1A1MEN1KMT2A | |
| SCHEMBL9093997 | 0.58 | ALDH1A1 (0.56) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL461605 | 0.58 | — | — | |
| SCHEMBL534617 | 0.57 | CA1 (0.58) | ALDH1A1CA12CA1CA2CA9 | |
| Hydrochloric Acid SCHEMBL28715598 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0240680-A1 | Diaryl sulfide derivatives | BAYER AG (DE) | 1987-10-14 | — | — | EP | disclosed |