Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CTSS | P25774 | 7/20 | 0.58 |
| ▸ | CTSK | P43235 | 6/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.47 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.47 |
| ▸ | ACE | P12821 | 1/20 | 0.47 |
| ▸ | CTSL | P07711 | 1/20 | 0.46 |
| ▸ | CTSB | P07858 | 1/20 | 0.46 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.45 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL8986082 | 0.91 | LMNA (0.70) | LMNACTSSCTSKKMT2AITGB3 | |
| SCHEMBL3204529 | 0.91 | LMNA (0.70) | LMNACTSSCTSKKMT2AITGB3 | |
| SCHEMBL20208717 | 0.90 | CTSS (0.53) | LMNACTSSCTSKKMT2ACTSL | |
| SCHEMBL18239928 | 0.90 | CTSS (0.53) | LMNACTSSCTSKKMT2ACTSL | |
| SCHEMBL24101175 | 0.88 | CTSS (0.52) | LMNACTSSCTSKKMT2ACTSL | |
| SCHEMBL29635621 | 0.87 | CTSS (0.51) | LMNACTSSCTSKKMT2ACTSL | |
| SCHEMBL29635622 | 0.87 | CTSS (0.51) | LMNACTSSCTSKKMT2ACTSL | |
| SCHEMBL29635623 | 0.87 | CTSS (0.51) | LMNACTSSCTSKKMT2ACTSL | |
| SCHEMBL22962027 | 0.85 | CTSS (0.69) | CTSSCTSKITGB3ITGA2BACE | |
| SCHEMBL479232 | 0.83 | CTSS (0.72) | CTSSCTSKITGB3ITGA2BACE |
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-112930214-A | Deuterium-containing compounds | 肿瘤多肽有限公司 | 2021-06-08 | — | — | CN | disclosed |