Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | BTN3A1 | O00481 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL17712317 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL28854869 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL14989469 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL14989468 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL17712318 | 1.00 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL16554025 | 0.97 | CA1 (0.45) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL16554022 | 0.97 | CA1 (0.45) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL16566219 | 0.92 | ALDH1A1 (0.43) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL23819216 | 0.91 | BTN3A1 (0.44) | ALDH1A1CA1CA2BCHEACHE | |
| SCHEMBL13469579 | 0.90 | ALDH1A1 (0.47) | ALDH1A1CA1CA2BCHEACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113501847-B | High-efficiency anti-hepatitis B virus compound and preparation method and application thereof | 南京颐媛生物医学研究院有限公司 | 2022-01-11 | — | — | CN | claimed |
| CN-113501847-B | High-efficiency anti-hepatitis B virus compound and preparation method and application thereof | 南京颐媛生物医学研究院有限公司 | 2022-01-11 | — | — | CN | disclosed |
| CN-113501847-A | High-efficiency anti-hepatitis B virus compound and preparation method and application thereof | 南京颐媛生物医学研究院有限公司 | 2021-10-15 | — | — | CN | disclosed |