Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | APEX1 | P27695 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | MMP2 | P08253 | 1/20 | 0.30 |
| ▸ | MMP3 | P08254 | 1/20 | 0.30 |
| ▸ | MMP8 | P22894 | 1/20 | 0.30 |
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 SCHEMBL6646831 | 0.97 | CHRNB2 (0.36) | CHRNB2CHRNA4MAPK1CHRM2CHRM4 | |
| Hydrochloric Acid SCHEMBL6647559 | 0.97 | CHRNB2 (0.36) | CHRNB2CHRNA4MAPK1CHRM2CHRM4 | |
| SCHEMBL2821988 | 0.80 | — | — | |
| SCHEMBL27837414 | 0.73 | — | — | |
| SCHEMBL9707584 | 0.73 | — | — | |
| SCHEMBL10614 | 0.72 | — | — | |
| SCHEMBL11786076 | 0.72 | — | — | |
| SCHEMBL17194015 | 0.72 | CHRM1 (0.40) | CHRNB2CHRNA4MAPK1CHRM2CHRM4 | |
| SCHEMBL2444091 | 0.71 | — | — | |
| SCHEMBL1902745 | 0.69 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113307772-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-113766914-B | Pentaneamidine analogues and uses thereof | 美商奥润沙公司 | 2024-02-13 | — | — | CN | disclosed |
| CN-113766914-A | Pentamidine analogs and uses thereof | 美商奥润沙公司 | 2021-12-07 | — | — | CN | disclosed |
| CN-113307772-A | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-08-27 | — | — | CN | disclosed |
| CN-106257976-B | Human plasma kallikrein inhibitors | 拜奥克里斯特制药公司 | 2021-02-02 | — | — | CN | disclosed |
| EP-1482940-A2 | PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | Pharmacia Corporation (US) | 2004-12-08 | — | — | EP | disclosed |
| EP-1448534-A1 | 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OFTHE COAGULATION CASCADE | Pharmacia Corporation (US) | 2004-08-25 | — | — | EP | disclosed |
| WO-2003028729-A2 | PRODRUGS OF SUBSTITUTED POLYCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2003-04-10 | — | — | WO | disclosed |
| WO-2003029224-A1 | 6-MEMBERED UNSATURATED HETEROCYCLIC COMPOUNDS USEFUL FOR SELECTIVE INHIBITION OF THE COAGULATION CASCADE | PHARMACIA CORPORATION (US) | 2003-04-10 | — | — | WO | disclosed |