Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA7 | P43166 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30355310 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL1646544 | 0.82 | ALDH1A1 (0.46) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL2517175 | 0.81 | ALDH1A1 (0.56) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL674718 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL2651865 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL30259474 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL30382166 | 0.80 | ALDH1A1 (0.44) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| Acetic Acid SCHEMBL1234610 | 0.79 | ALDH1A1 (0.40) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 | |
| SCHEMBL4619018 | 0.78 | ALDH1A1 (0.48) | ALDH1A1ALOX15KDM4EHPGDAKR1C3 | |
| SCHEMBL29101464 | 0.78 | ALDH1A1 (0.43) | ALDH1A1ALOX15KDM4EHPGDHSD17B10 |
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-106349147-A | Synthetic method of pyrrole derivatives | 南阳师范学院 | 2017-01-25 | — | — | CN | disclosed |