Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | CACNA2D1 | P54289 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL19650809 | 0.80 | ALDH1A1 (0.68) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL7248318 | 0.80 | USP2 (0.31) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL7249850 | 0.79 | USP2 (0.33) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL7255156 | 0.79 | USP2 (0.33) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL7248777 | 0.76 | USP2 (0.43) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL7254020 | 0.74 | TSHR (0.34) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL7249053 | 0.74 | — | — | |
| SCHEMBL12905013 | 0.74 | USP2 (0.31) | USP2ALDH1A1LMNACYP1A2TSHR | |
| Hydrochloric Acid SCHEMBL929559 | 0.72 | USP2 (0.30) | USP2ALDH1A1LMNACYP1A2TSHR | |
| SCHEMBL3339369 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018050110-A1 | NOVEL CAPSID PROTEIN ASSEMBLY INHIBITOR | 正大天晴药业集团股份有限公司 | 2018-03-22 | — | — | WO | disclosed |