Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.42 |
| ▸ | HPGD | P15428 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4978388 | 0.83 | CA1 (0.50) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL2319917 | 0.82 | CA1 (0.49) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL14354630 | 0.81 | ESR1 (0.49) | ALDH1A1HPGDESR1MAPTMAPK1 | |
| SCHEMBL24405216 | 0.79 | HDAC3 (0.44) | ALDH1A1HPGDESR1MAPTMAPK1 | |
| SCHEMBL18750435 | 0.79 | CA1 (0.56) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL9300055 | 0.78 | CA1 (0.49) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL11641513 | 0.77 | CA1 (0.45) | CA1CA2CA9ALDH1A1HPGD | |
| SCHEMBL9203846 | 0.76 | ALDH1A1 (0.39) | ALDH1A1HPGDESR1MAPK1KDM4E | |
| SCHEMBL16527125 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HPGDESR1MAPTMAPK1 | |
| SCHEMBL5866566 | 0.75 | ALDH1A1 (0.48) | CA1CA2CA9ALDH1A1HPGD |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5955463-A | ANTITUMOR, ANTIINFLAMMATORY, AND ANTIARTHRITIC AGENTS | ZENECA LIMITED (GB) | 1999-09-21 | — | — | US | disclosed |
| EP-0562734-B1 | Anti-tumour compounds containing quinazoline and tetrazole rings | ZENECA LTD (GB) | 1995-12-20 | — | — | EP | disclosed |
| EP-0562734-A1 | Anti-tumour compounds containing quinazoline and tetrazole rings | ZENECA LIMITED (GB) | 1993-09-29 | — | — | EP | disclosed |