Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | GCK | P35557 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL17049279 | 1.00 | ALDH1A1 (0.49) | ALDH1A1MAPTMEN1KMT2AGCK | |
| SCHEMBL21734204 | 0.84 | MAPT (0.60) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL17049329 | 0.83 | KMT2A (0.46) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL17049252 | 0.82 | KMT2A (0.44) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL17049250 | 0.82 | KMT2A (0.44) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL17049257 | 0.82 | MEN1 (0.53) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL17049334 | 0.82 | MEN1 (0.47) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL17049335 | 0.82 | MEN1 (0.47) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL17049312 | 0.81 | KMT2A (0.50) | ALDH1A1MAPTMEN1KMT2APOLB | |
| SCHEMBL21938742 | 0.80 | POLB (0.40) | ALDH1A1MAPTMEN1KMT2APOLB |
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-2015131100-A1 | LIGAND-CONTROLLED C(SP3)-H ARYLATION AND OLEFINATION IN SYNTHESIS OF UNNATURAL CHIRAL ALPHA AMINO ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2015-09-03 | — | — | WO | disclosed |