Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 2/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.40 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.39 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.39 |
| ▸ | HTR6 | P50406 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 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 | |
|---|---|---|---|---|
| SCHEMBL17899686 | 0.89 | EPHX2 (0.44) | HDAC1ALDH1A1KMT2AGAAMEN1 | |
| SCHEMBL17899694 | 0.89 | PKM (0.48) | PKMALDH1A1KMT2AGAAMEN1 | |
| SCHEMBL17899688 | 0.87 | ALDH1A1 (0.46) | PKMPKLRALDH1A1KMT2AGAA | |
| SCHEMBL17899639 | 0.87 | PKM (0.43) | PKMALDH1A1KMT2AGAAHTR6 | |
| SCHEMBL17899690 | 0.86 | ALDH1A1 (0.46) | HDAC1PKMALDH1A1KMT2AMAPT | |
| SCHEMBL17899692 | 0.86 | PKM (0.46) | PKMALDH1A1HPGDKMT2AGAA | |
| SCHEMBL17899641 | 0.84 | SMN1; SMN2 (0.45) | ALDH1A1HPGDKMT2ANPC1GAA | |
| SCHEMBL17899697 | 0.83 | LMNA (0.43) | PKMALDH1A1HPGDKMT2ANPC1 | |
| SCHEMBL17899644 | 0.82 | MAPT (0.48) | PKMPKLRALDH1A1KMT2ANPC1 | |
| SCHEMBL17899650 | 0.81 | KMT2A (0.46) | ALDH1A1KMT2AGAAMEN1MAPT |
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-2016107544-A1 | INTERMEDIATE COMPOUND FOR PREPARING PYRROLE AMIDE COMPOUND AND PREPARATION METHOD AND USE THEREOF | 成都先导药物开发有限公司 | 2016-07-07 | — | — | WO | disclosed |