Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RIPK1 | Q13546 | 2/20 | 0.50 |
| ▸ | PDE5A | O76074 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.41 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.41 |
| ▸ | JAK2 | O60674 | 3/20 | 0.40 |
| ▸ | NTRK1 | P04629 | 3/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.39 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.39 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.39 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.39 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.39 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28518916 | 0.89 | RIPK1 (0.48) | RIPK1PDE5AABCB1GPR119JAK2 | |
| SCHEMBL31226498 | 0.86 | ABCB1 (0.41) | RIPK1ABCB1GPR119MEN1KMT2A | |
| SCHEMBL2350570 | 0.85 | TRPA1 (0.47) | ABCB1JAK2MEN1KMT2ATRPA1 | |
| SCHEMBL14563127 | 0.85 | TRPA1 (0.47) | ABCB1JAK2MEN1KMT2ATRPA1 | |
| SCHEMBL14563128 | 0.85 | TRPA1 (0.47) | ABCB1JAK2MEN1KMT2ATRPA1 | |
| SCHEMBL28521345 | 0.85 | RIPK1 (0.47) | RIPK1PDE5AABCB1GPR119JAK2 | |
| SCHEMBL5149946 | 0.85 | ABCB1 (0.52) | RIPK1ABCB1GPR119MEN1KMT2A | |
| SCHEMBL3857587 | 0.85 | ABCB1 (0.52) | RIPK1ABCB1GPR119MEN1KMT2A | |
| SCHEMBL475729 | 0.85 | ABCB1 (0.52) | RIPK1ABCB1GPR119MEN1KMT2A | |
| SCHEMBL28908006 | 0.85 | RIPK1 (0.49) | RIPK1PDE5AABCB1GPR119JAK2 |
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-109476639-B | Pyrrolidine derivatives | 橘生药品工业股份有限公司 | 2021-02-26 | — | — | CN | disclosed |