Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 15/20 | 0.73 |
| ▸ | FBP1 | P09467 | 2/20 | 0.73 |
| ▸ | GAK | O14976 | 2/20 | 0.73 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.73 |
| ▸ | MAPT | P10636 | 1/20 | 0.73 |
| ▸ | KDR | P35968 | 3/20 | 0.64 |
| ▸ | ABCG2 | Q9UNQ0 | 3/20 | 0.64 |
| ▸ | ERBB2 | P04626 | 2/20 | 0.64 |
| ▸ | PDGFRA | P16234 | 2/20 | 0.64 |
| ▸ | LTK | P29376 | 2/20 | 0.64 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.64 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.64 |
| ▸ | ILK | Q13418 | 2/20 | 0.64 |
| ▸ | LMNA | P02545 | 2/20 | 0.64 |
| ▸ | RET | P07949 | 2/20 | 0.64 |
| ▸ | SRC | P12931 | 2/20 | 0.64 |
| ▸ | PLK4 | O00444 | 1/20 | 0.64 |
| ▸ | CIT | O14578 | 1/20 | 0.64 |
| ▸ | AURKA | O14965 | 1/20 | 0.64 |
| ▸ | EPHB6 | O15197 | 1/20 | 0.64 |
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 | |
|---|---|---|---|---|
| SCHEMBL1507676 | 1.00 | EGFR (0.73) | EGFRFBP1GAKALDH1A1MAPT | |
| SCHEMBL31167368 | 1.00 | EGFR (0.73) | EGFRFBP1GAKALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1507772 | 0.99 | EGFR (0.72) | EGFRFBP1GAKALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL8686177 | 0.93 | EGFR (0.64) | EGFRFBP1GAKALDH1A1MAPT | |
| Glycolic Acid SCHEMBL28823471 | 0.91 | EGFR (0.62) | EGFRFBP1GAKALDH1A1MAPT | |
| SCHEMBL4354683 | 0.91 | EGFR (0.73) | EGFRFBP1GAKALDH1A1MAPT | |
| Hydrochloric Acid SCHEMBL1507575 | 0.90 | EGFR (0.72) | EGFRFBP1GAKALDH1A1MAPT | |
| SCHEMBL22336685 | 0.88 | EGFR (0.79) | EGFRFBP1GAKALDH1A1MAPT | |
| SCHEMBL667895 | 0.85 | EGFR (1.00) | EGFRFBP1GAKALDH1A1MAPT | |
| SCHEMBL15051921 | 0.84 | BRAF (0.72) | EGFRFBP1GAKALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-118852129-A | Preparation method and application of triazole feed additive with anti-inflammatory activity designed based on deep learning technology | 河南湾流生物科技有限公司 | 2024-10-29 | — | — | CN | claimed |
| CN-118852129-A | Preparation method and application of triazole feed additive with anti-inflammatory activity designed based on deep learning technology | 河南湾流生物科技有限公司 | 2024-10-29 | — | — | CN | disclosed |