Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | HPGD | P15428 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | POLB | P06746 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.52 |
| ▸ | HCRTR1 | O43613 | 2/20 | 0.51 |
| ▸ | HCRTR2 | O43614 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CASP3 | P42574 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | HPN | P05981 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL5885924 | 0.82 | ALDH1A1 (0.70) | ALDH1A1MAPK1TSHRGAAHPGD | |
| SCHEMBL5885922 | 0.82 | ALDH1A1 (0.70) | ALDH1A1MAPK1TSHRGAAHPGD | |
| SCHEMBL696505 | 0.80 | ALDH1A1 (0.68) | ALDH1A1MAPK1TSHRGAAHPGD | |
| SCHEMBL696506 | 0.80 | ALDH1A1 (0.68) | ALDH1A1MAPK1TSHRGAAHPGD | |
| SCHEMBL9222436 | 0.80 | GAA (0.64) | ALDH1A1MAPK1TSHRGAAHPGD | |
| SCHEMBL2636629 | 0.80 | ALDH1A1 (0.68) | ALDH1A1MAPK1TSHRGAAHPGD | |
| SCHEMBL10435226 | 0.79 | ALDH1A1 (0.61) | ALDH1A1MAPK1TSHRGAAHPGD | |
| Hydrochloric Acid SCHEMBL4077466 | 0.79 | ALDH1A1 (0.67) | ALDH1A1MAPK1TSHRGAAHPGD | |
| SCHEMBL4674925 | 0.79 | GAA (0.63) | ALDH1A1MAPK1TSHRGAAHPGD | |
| Water SCHEMBL5497101 | 0.79 | ALDH1A1 (0.67) | ALDH1A1MAPK1TSHRGAAHPGD |
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 |
|---|---|---|---|---|---|---|---|
| CN-108358933-B | Preparation method of polysubstituted pyrrole compound | 华南理工大学 | 2021-09-14 | — | — | CN | disclosed |