Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.55 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.50 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GLA | P06280 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6062322 | 1.00 | ALDH1A1 (0.55) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL24432943 | 0.91 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL30843336 | 0.91 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL28613236 | 0.89 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL21068 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL29423352 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL30574434 | 0.86 | ALDH1A1 (0.46) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL1906954 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| SCHEMBL18907355 | 0.85 | ALDH1A1 (0.41) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 | |
| Hydrochloric Acid SCHEMBL29150394 | 0.84 | PTPN22 (0.48) | ALDH1A1HSD17B10TSHRCYP2A6TDP1 |
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-108884050-B | Tetrahydroisoquinoline derivatives | UCB生物制药私人有限公司 | 2022-07-05 | — | — | CN | disclosed |