Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | CA2 | P00918 | 3/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA7 | P43166 | 1/20 | 0.41 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.38 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL41646 | 0.96 | CA1 (0.43) | CA1CA2CA4CA12CA7 | |
| SCHEMBL7702552 | 0.96 | CA1 (0.43) | CA1CA2CA4CA12CA7 | |
| SCHEMBL29061953 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| Hydrochloric Acid SCHEMBL28635472 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL29576072 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL23589703 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL23589702 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL6470270 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| SCHEMBL31540317 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 | |
| Lithium SCHEMBL5688740 | 0.92 | CA1 (0.41) | CA1CA2CA4CA12CA7 |
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-111454282-A | Preparation of electron-deficient and electron-deficient conjugated extended isoindigo compounds | 中国科学院青岛生物能源与过程研究所 | 2020-07-28 | — | — | CN | disclosed |