Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 5/20 | 0.41 |
| ▸ | CA2 | P00918 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.41 |
| ▸ | CA7 | P43166 | 3/20 | 0.41 |
| ▸ | CA9 | Q16790 | 3/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | HMGB1 | P09429 | 2/20 | 0.39 |
| ▸ | CA4 | P22748 | 1/20 | 0.39 |
| ▸ | CA6 | P23280 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL5872828 | 0.85 | KEAP1 (0.43) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL17893926 | 0.80 | CA1 (0.38) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL24436945 | 0.79 | MEN1 (0.42) | ALDH1A1CA9THRBKDM4EHPGD | |
| SCHEMBL15524528 | 0.79 | CA1 (0.50) | CA1CA2ALDH1A1CA12CA7 | |
| SCHEMBL29451223 | 0.79 | ALB (0.47) | CA1CA2ALDH1A1CA12CA7 | |
| Fluoride SCHEMBL6445071 | 0.78 | KEAP1 (0.47) | CA1CA2ALDH1A1KDM4ECA4 | |
| Fluoride SCHEMBL28471027 | 0.78 | KEAP1 (0.47) | CA1CA2ALDH1A1KDM4ECA4 | |
| SCHEMBL29816825 | 0.78 | KEAP1 (0.47) | CA1CA2ALDH1A1KDM4ECA4 | |
| SCHEMBL503374 | 0.78 | KEAP1 (0.47) | CA1CA2ALDH1A1KDM4ECA4 | |
| Ammonia Solution, Strong SCHEMBL29605280 | 0.77 | ALB (0.45) | CA1CA2ALDH1A1CA12CA7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0902779-A2 | PHOSPHATE MIMICS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1999-03-24 | — | — | EP | disclosed |
| WO-1997040006-A2 | PHOSPHATE MIMICS | CANCER RESEARCH CAMPAIGN TECHNOLOGY LIMITED (GB) | 1997-10-30 | — | — | WO | disclosed |