Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CHKA | P35790 | 6/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | F2 | P00734 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | BCHE | P06276 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL19468916 | 0.84 | ALDH1A1 (0.51) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| SCHEMBL5307716 | 0.83 | ALDH1A1 (0.53) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| Hydrochloric Acid SCHEMBL7307884 | 0.81 | ALDH1A1 (0.56) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| SCHEMBL15836459 | 0.79 | ALDH1A1 (0.49) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| Bromide SCHEMBL15821503 | 0.77 | ACHE (0.50) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| Hydrochloric Acid SCHEMBL10670016 | 0.76 | ALDH1A1 (0.50) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| SCHEMBL15836427 | 0.76 | ALDH1A1 (0.46) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| Bromide SCHEMBL15820807 | 0.75 | ACHE (0.48) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| Bromide SCHEMBL23858158 | 0.74 | CHKA (0.49) | ACHEALDH1A1KDM4ERAB9ACHKA | |
| SCHEMBL1824133 | 0.72 | ALDH1A1 (0.75) | ALDH1A1KDM4ERAB9ACHKALMNA |
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-113549075-A | Synthesis method of tofacitinib citrate diastereoisomer impurity | 合肥华方医药科技有限公司 | 2021-10-26 | — | — | CN | disclosed |