Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CA4 | P22748 | 2/20 | 0.42 |
| ▸ | CA7 | P43166 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | CA6 | P23280 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | BCHE | P06276 | 2/20 | 0.41 |
| ▸ | GUSB | P08236 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4049087 | 1.00 | ALDH1A1 (0.42) | ALDH1A1KDM4ESMN1; SMN2CA1CA2 | |
| SCHEMBL7311482 | 0.82 | TRPA1 (0.50) | ALDH1A1CA1CA2CA4CA7 | |
| SCHEMBL1890894 | 0.80 | CA1 (0.37) | ALDH1A1KDM4ESMN1; SMN2CA1CA2 | |
| SCHEMBL1890895 | 0.80 | CA1 (0.37) | ALDH1A1KDM4ESMN1; SMN2CA1CA2 | |
| SCHEMBL1649381 | 0.79 | MAPT (0.50) | ALDH1A1KDM4ESMN1; SMN2CA1CA2 | |
| SCHEMBL4050625 | 0.79 | MAPT (0.50) | ALDH1A1KDM4ESMN1; SMN2CA1CA2 | |
| SCHEMBL9477455 | 0.76 | CA1 (0.52) | ALDH1A1KDM4ECA1CA2CA4 | |
| SCHEMBL9477461 | 0.76 | CA1 (0.52) | ALDH1A1KDM4ECA1CA2CA4 | |
| SCHEMBL7607193 | 0.73 | NFKB1 (0.53) | ALDH1A1KDM4ESMN1; SMN2CA1CA2 | |
| SCHEMBL11021897 | 0.72 | CA1 (0.43) | ALDH1A1KDM4ESMN1; SMN2CA1CA2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009108392-A2 | CATALYTIC ENANTIOSELECTIVE SYNTHESIS OF FLAVANONES AND CHROMANES | NORTHWESTERN UNIVERSITY (US) | 2009-09-03 | — | — | WO | disclosed |