Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 | P20309 | 7/20 | 0.47 |
| ▸ | ACKR3 | P25106 | 3/20 | 0.45 |
| ▸ | SYK | P43405 | 1/20 | 0.43 |
| ▸ | KDM1A | O60341 | 2/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.37 |
| ▸ | FAAH | O00519 | 1/20 | 0.37 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.37 |
| ▸ | KLK1 | P06870 | 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 | |
|---|---|---|---|---|
| SCHEMBL16486396 | 0.89 | CHRM3 (0.50) | CHRM3ACKR3SYKATMFAAH | |
| Tert-Butyl Formate SCHEMBL28052662 | 0.85 | CHRM3 (0.64) | CHRM3 | |
| Tert-Butyl Formate SCHEMBL28272976 | 0.85 | CHKA (0.50) | CHRM3SYKATM | |
| Tert-Butyl Formate SCHEMBL28289206 | 0.80 | SIGMAR1 (0.42) | — | |
| Tert-Butyl Formate SCHEMBL27844848 | 0.77 | CHRNB2 (0.52) | — | |
| Tert-Butyl Formate SCHEMBL28820057 | 0.76 | DDR1 (0.52) | CHRM3DDR1 | |
| SCHEMBL23013506 | 0.76 | ALDH1A1 (0.57) | ACKR3FAAHKLKB1KLK1 | |
| SCHEMBL16486773 | 0.76 | ACKR3 (0.46) | ACKR3KDM1AATMFAAH | |
| SCHEMBL29390664 | 0.76 | ACKR3 (0.46) | ACKR3KDM1AATMFAAH | |
| Tert-Butyl Formate SCHEMBL27844700 | 0.76 | HPGD (0.51) | — |
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-105683179-A | Inhibitors of plasma kallikrein | 卡尔维斯塔制药有限公司 | 2016-06-15 | — | — | CN | disclosed |