Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | FAAH | O00519 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | USP2 | O75604 | 1/20 | 0.52 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HPN | P05981 | 1/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.52 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.52 |
| ▸ | DRD2 | P14416 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL30463522 | 1.00 | ALDH1A1 (0.58) | ALDH1A1KDM4EHTTFAAHMAPT | |
| SCHEMBL1134938 | 0.81 | SIGMAR1 (0.72) | ALDH1A1KMT2ALMNADRD4 | |
| SCHEMBL7428714 | 0.81 | SIGMAR1 (0.76) | ALDH1A1KDM4EHTTFAAHMAPT | |
| SCHEMBL7426490 | 0.81 | ALDH1A1 (0.64) | ALDH1A1KDM4EFAAHMEN1KMT2A | |
| SCHEMBL2325343 | 0.80 | LMNA (0.68) | ALDH1A1KDM4EFAAHMAPTMEN1 | |
| SCHEMBL15829984 | 0.80 | ALDH1A1 (0.62) | ALDH1A1KDM4EHTTFAAHMAPT | |
| SCHEMBL10076573 | 0.80 | MC4R (0.65) | ALDH1A1KDM4EHTTFAAHMAPT | |
| SCHEMBL31546411 | 0.80 | HRH3 (0.69) | ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL12981 | 0.80 | HRH3 (0.69) | ALDH1A1KDM4EHTTMAPT | |
| SCHEMBL5542258 | 0.79 | FAAH (0.54) | ALDH1A1FAAHKMT2ALMNADRD2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112300145-B | Tri-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2023-07-21 | — | — | CN | claimed |
| CN-112300145-A | Three-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2021-02-02 | — | — | CN | claimed |
| CN-117986254-A | Hirsutine alkaloid derivative, and preparation method and application thereof | 中国海洋大学 | 2024-05-07 | — | — | CN | disclosed |
| CN-112300145-B | Tri-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2023-07-21 | — | — | CN | disclosed |
| CN-112300145-A | Three-aromatic ring compound targeting STAT3 bifunctional phosphorylation site and application thereof | 上海宇耀生物科技有限公司 | 2021-02-02 | — | — | CN | disclosed |