Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL6330365 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1SMN1; SMN2PKM | |
| SCHEMBL6332947 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1SMN1; SMN2PKM | |
| SCHEMBL3712422 | 0.89 | ALDH1A1 (0.57) | ALDH1A1KMT2AMEN1SMN1; SMN2PKM | |
| SCHEMBL11061943 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1SMN1; SMN2GAA | |
| SCHEMBL226270 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KMT2AMEN1SMN1; SMN2GAA | |
| SCHEMBL11837046 | 0.83 | ALDH1A1 (0.63) | ALDH1A1KMT2AMEN1GAAHPGD | |
| SCHEMBL7350726 | 0.82 | ALDH1A1 (0.50) | ALDH1A1KMT2AMEN1SMN1; SMN2PKM | |
| SCHEMBL11844535 | 0.79 | — | — | |
| SCHEMBL4546660 | 0.78 | SMN1; SMN2 (0.52) | ALDH1A1KMT2AMEN1SMN1; SMN2PKM | |
| SCHEMBL19574086 | 0.77 | CYP3A4 (0.67) | ALDH1A1KMT2AMEN1SMN1; SMN2PKM |
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-2017116558-A1 | LSD1 INHIBITORS | Mirati Therapeutics, Inc. (US) | 2017-07-06 | — | — | WO | disclosed |