Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.35 |
| ▸ | CYP26A1 | O43174 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30528171 | 1.00 | KMT2A (0.41) | KMT2AMEN1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL29525590 | 0.87 | ALOX5 (0.38) | KMT2AMEN1PTGS2ALDH1A1 | |
| SCHEMBL21964218 | 0.87 | ALOX5 (0.38) | KMT2AMEN1PTGS2ALDH1A1 | |
| SCHEMBL30732630 | 0.87 | ALOX5 (0.38) | KMT2AMEN1PTGS2ALDH1A1 | |
| SCHEMBL9344694 | 0.84 | KMT2A (0.36) | KMT2AMEN1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL5971112 | 0.82 | KMT2A (0.46) | KMT2AMEN1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL30879112 | 0.82 | KMT2A (0.46) | KMT2AMEN1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL30879113 | 0.82 | KMT2A (0.46) | KMT2AMEN1PTGS1PTGS2ALDH1A1 | |
| SCHEMBL13181798 | 0.79 | KMT2A (0.55) | KMT2AMEN1ALDH1A1LMNA | |
| SCHEMBL12770520 | 0.79 | KMT2A (0.55) | KMT2AMEN1ALDH1A1LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-5300638-A | Reacting imine derivative of threonine with an acetyl halide in the presence of a base; preferential | BRISTOL-MYERS SQUIBB COMPANY (US) | 1994-04-05 | — | — | US | disclosed |
| EP-0525589-A1 | Asymmetric synthesis of taxol side chain | Bristol-Myers Squibb Company (US) | 1993-02-03 | — | — | EP | disclosed |