Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 13/20 | 0.40 |
| ▸ | CA2 | P00918 | 13/20 | 0.40 |
| ▸ | CA4 | P22748 | 5/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.40 |
| ▸ | CA6 | P23280 | 4/20 | 0.40 |
| ▸ | CA5A | P35218 | 4/20 | 0.40 |
| ▸ | CA7 | P43166 | 4/20 | 0.40 |
| ▸ | CA9 | Q16790 | 4/20 | 0.40 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.40 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.40 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CA3 | P07451 | 3/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CISD1 | Q9NZ45 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9577112 | 0.76 | CA1 (0.41) | CA1CA2CA4CA12CA6 | |
| SCHEMBL17310965 | 0.72 | CYP3A4 (0.50) | CA1CA2CA4CA12CA6 | |
| SCHEMBL29859906 | 0.72 | CYP3A4 (0.50) | CA1CA2CA4CA12CA6 | |
| SCHEMBL5839766 | 0.70 | CYP3A4 (0.48) | CA1CA2CA4CA12CA6 | |
| SCHEMBL10455146 | 0.69 | POLB (0.55) | CA1CA2CA12CA9CYP3A4 | |
| SCHEMBL5839608 | 0.69 | CYP3A4 (0.46) | CA1CA2CA4CA12CA6 | |
| SCHEMBL11154927 | 0.69 | CYP3A4 (0.46) | CA1CA2CA4CA12CA6 | |
| SCHEMBL9577123 | 0.67 | ALDH1A1 (0.57) | CA1CA2CA12CA7CA9 | |
| SCHEMBL11855494 | 0.67 | CYP3A4 (0.43) | CA1CA2CA4CA12CA6 | |
| SCHEMBL11855501 | 0.67 | CYP3A4 (0.43) | CA1CA2CA4CA12CA6 |
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-107001350-B | Efficient and scalable synthesis of 2- (1 'H-indole-3' -carbonyl) -thiazole-4-carboxylic acid methyl ester and structural analogs thereof | 阿里根公司 | 2021-04-09 | — | — | CN | disclosed |