Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.50 |
| ▸ | CDK1 | P06493 | 3/20 | 0.45 |
| ▸ | CCNB1 | P14635 | 3/20 | 0.45 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.45 |
| ▸ | CCND1 | P24385 | 3/20 | 0.45 |
| ▸ | CDK2 | P24941 | 3/20 | 0.45 |
| ▸ | CDK7 | P50613 | 3/20 | 0.45 |
| ▸ | CCNH | P51946 | 3/20 | 0.45 |
| ▸ | CCNA1 | P78396 | 3/20 | 0.45 |
| ▸ | CDK6 | Q00534 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | PFKFB3 | Q16875 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA6 | P23280 | 2/20 | 0.41 |
| ▸ | CA5A | P35218 | 2/20 | 0.41 |
| ▸ | CA7 | P43166 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1645094 | 0.98 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL11757841 | 0.78 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL388032 | 0.77 | PKM (0.53) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL301846 | 0.76 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL4616033 | 0.76 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL12560498 | 0.76 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL6038652 | 0.76 | PKM (0.52) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL5137127 | 0.74 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL11760740 | 0.74 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 | |
| SCHEMBL5137125 | 0.74 | PKM (0.50) | PKMCDK1CCNB1CCNA2CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5837708-A | CARDIOVASCULAR DISORDERS OF HYPERTENSION, ISCHEMIA, ANGINA PECTORIS AND VASOSPASMS | HOFFMANN-LA ROCHE INC. (US) | 1998-11-17 | — | — | US | disclosed |