Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BTK | Q06187 | 3/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 7/20 | 0.35 |
| ▸ | TEAD1 | P28347 | 2/20 | 0.34 |
| ▸ | EGFR | P00533 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.33 |
| ▸ | KRAS | P01116 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21393276 | 0.80 | TEAD1 (0.36) | BTKTEAD1KRAS | |
| SCHEMBL23158196 | 0.79 | TEAD1 (0.34) | BTKTEAD1KRAS | |
| SCHEMBL17813669 | 0.79 | TEAD1 (0.36) | BTKTEAD1KRAS | |
| SCHEMBL21707132 | 0.79 | ATM (0.38) | BTKTEAD1EGFRHRH3KRAS | |
| SCHEMBL23328552 | 0.79 | ATM (0.38) | BTKTEAD1EGFRHRH3KRAS | |
| SCHEMBL16122660 | 0.79 | BTK (0.34) | BTKTEAD1EGFRKRASCHRNB2 | |
| SCHEMBL20343567 | 0.77 | HSD11B1 (0.45) | BTKTEAD1KRAS | |
| SCHEMBL22631197 | 0.76 | CHRNB2 (0.38) | KRASCHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL10138954 | 0.76 | — | — | |
| SCHEMBL1463765 | 0.75 | CHRNA4 (0.55) | CHRNB2CHRNB4CHRNA3CHRNA4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3689871-A1 | 4,6,7-TRISUBSTITUTED 1,2-DIHYDROPYRROL[3,4-C]PYRIDIN/PYRIMIDIN-3-ONE DERIVATIVE AND USE | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2020-08-05 | — | — | EP | disclosed |