Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 1/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.47 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.41 |
| ▸ | CDK9 | P50750 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL25540584 | 0.89 | CA1 (0.48) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL11022193 | 0.84 | CA1 (0.47) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL6766120 | 0.84 | CA1 (0.47) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL27990182 | 0.84 | CA1 (0.47) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL25540658 | 0.82 | CA1 (0.47) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL7661573 | 0.80 | CA1 (0.43) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL1530471 | 0.79 | ALDH1A1 (0.48) | CA1CA2BCHEACHEALDH1A1 | |
| SCHEMBL28069119 | 0.79 | ALDH1A1 (0.53) | CA1CA2ACHEALDH1A1TSHR | |
| SCHEMBL11285838 | 0.79 | EGFR (0.41) | ALDH1A1TSHRMAPTKMT2ACCNT1 | |
| SCHEMBL10139118 | 0.78 | ALDH1A1 (0.64) | ACHEALDH1A1TSHRTDP1CYP3A4 |
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-106316987-B | Benzamide derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2020-11-17 | — | — | CN | disclosed |