Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 8/20 | 0.38 |
| ▸ | CA9 | Q16790 | 6/20 | 0.37 |
| ▸ | CA1 | P00915 | 5/20 | 0.37 |
| ▸ | CA12 | O43570 | 2/20 | 0.37 |
| ▸ | CA5A | P35218 | 2/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA4 | P22748 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL132005 | 0.83 | PKM (0.50) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL10875052 | 0.73 | TDP1 (0.56) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL129629 | 0.70 | PKM (0.56) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL27532903 | 0.69 | KCNN4 (0.38) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL2542150 | 0.69 | CA2 (0.46) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL7567279 | 0.68 | MCL1 (0.41) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL27488629 | 0.67 | ALDH1A1 (0.35) | ALDH1A1PKMESR1 | |
| Potassium Ion SCHEMBL29243064 | 0.67 | PKM (0.54) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL378350 | 0.67 | PKM (0.54) | ALDH1A1PKMESR1CA2CA9 | |
| SCHEMBL415687 | 0.67 | PKM (0.54) | ALDH1A1PKMESR1CA2CA9 |
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-0053693-A1 | Penicillins, their salts, process for their preparation and pharmaceutical compositions containing them | Dr. Karl Thomae GmbH (DE) | 1982-06-16 | — | — | EP | disclosed |