Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RPS6KA3 | P51812 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | SQOR | Q9Y6N5 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | DHFR | P00374 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | STAT3 | P40763 | 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 | |
|---|---|---|---|---|
| SCHEMBL820321 | 0.92 | RPS6KA3 (0.47) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL27683817 | 0.90 | RPS6KA3 (0.46) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| Methane SCHEMBL28199914 | 0.90 | RPS6KA3 (0.46) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL5437684 | 0.90 | RPS6KA3 (0.46) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL5437685 | 0.90 | RPS6KA3 (0.46) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL31534012 | 0.85 | RPS6KA3 (0.41) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL8954051 | 0.83 | CYP3A4 (0.53) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL7279896 | 0.83 | CYP11B2 (0.44) | ALDH1A1CA12CA9 | |
| Orthotolidine SCHEMBL29201186 | 0.81 | ALDH1A1 (0.61) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 | |
| SCHEMBL29006686 | 0.81 | ALDH1A1 (0.42) | RPS6KA3CYP3A4TDP1ALDH1A1TP53 |
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-108690119-A | A kind of polypeptide prodrug of Evans blue modification and its preparation and application | 莎穆(上海)生物科技有限公司 | 2018-10-23 | — | — | CN | disclosed |