Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CA1 | P00915 | 2/20 | 0.40 |
| ▸ | CA2 | P00918 | 2/20 | 0.40 |
| ▸ | MMP2 | P08253 | 2/20 | 0.40 |
| ▸ | CA9 | Q16790 | 2/20 | 0.40 |
| ▸ | SHBG | P04278 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | GMNN | O75496 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Bicarbonate SCHEMBL10653006 | 0.90 | ALDH1A1 (0.41) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL10971158 | 0.90 | SHBG (0.40) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL17715691 | 0.84 | ALDH1A1 (0.42) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL6808670 | 0.84 | ALDH1A1 (0.55) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL1208925 | 0.84 | ALDH1A1 (0.55) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL4742218 | 0.84 | ALDH1A1 (0.42) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL8651989 | 0.84 | ALDH1A1 (0.55) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL6804343 | 0.83 | ALDH1A1 (0.40) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL931422 | 0.83 | EPHX1 (0.48) | ALDH1A1EPHX1CA12CA1CA2 | |
| SCHEMBL13999779 | 0.83 | EPHX1 (0.48) | ALDH1A1EPHX1CA12CA1CA2 |
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-6730788-B1 | COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND | UNIVERSITY OF NOTRE DAME | 2004-05-04 | — | — | US | disclosed |