Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MME | P08473 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | PDCD1LG2 | Q9BQ51 | 1/20 | 0.31 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL16750045 | 1.00 | TP53 (0.43) | TP53ALDH1A1CA2CA1TDP1 | |
| SCHEMBL21844009 | 1.00 | TP53 (0.43) | TP53ALDH1A1CA2CA1TDP1 | |
| SCHEMBL21844003 | 1.00 | TP53 (0.43) | TP53ALDH1A1CA2CA1TDP1 | |
| SCHEMBL19090792 | 1.00 | TP53 (0.43) | TP53ALDH1A1CA2CA1TDP1 | |
| SCHEMBL14572731 | 1.00 | TP53 (0.43) | TP53ALDH1A1CA2CA1TDP1 | |
| SCHEMBL9978488 | 0.84 | TP53 (0.43) | TP53ALDH1A1CA2CA1MME | |
| SCHEMBL27963679 | 0.84 | TP53 (0.43) | TP53ALDH1A1CA2CA1MME | |
| SCHEMBL146974 | 0.84 | TP53 (0.43) | TP53ALDH1A1CA2CA1MME | |
| SCHEMBL19091353 | 0.82 | TSHR (0.43) | TP53ALDH1A1TDP1SMN1; SMN2TSHR | |
| SCHEMBL73645 | 0.81 | ALDH1A1 (0.44) | TP53ALDH1A1TDP1SMN1; SMN2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4198017-A1 | BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | Academy of Military Medical Sciences (CN) | 2023-06-21 | — | — | EP | disclosed |
| WO-2022033303-A1 | BENZYLAMINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2022-02-17 | — | — | WO | disclosed |