Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | ABCB1 | P08183 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | ROR1 | Q01973 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | BLM | P54132 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL10054661 | 1.00 | ALDH1A1 (0.58) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL6324673 | 1.00 | ALDH1A1 (0.58) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL2629461 | 0.91 | ALDH1A1 (0.55) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL30725971 | 0.91 | ALDH1A1 (0.55) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL30966448 | 0.91 | ALDH1A1 (0.55) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL29169330 | 0.90 | ALDH1A1 (0.63) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL15077679 | 0.89 | ALDH1A1 (0.47) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL15077681 | 0.89 | ALDH1A1 (0.47) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL5791797 | 0.85 | ALDH1A1 (0.47) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E | |
| SCHEMBL6324472 | 0.84 | ROR1 (0.51) | ALDH1A1ABCB1CYP3A4MAPK1KDM4E |
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-113912577-B | Rockwell intermediate, rockwell and its derivative, and preparation and application | 深圳湾实验室 | 2023-12-29 | — | — | CN | disclosed |