Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 6/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 3/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 3/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA5A | P35218 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | CNR1 | P21554 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28784641 | 0.90 | POLB (0.43) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| SCHEMBL10339339 | 0.78 | HRH1 (0.42) | ALDH1A1 | |
| SCHEMBL14609487 | 0.75 | CHRNB4 (0.38) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| SCHEMBL2385609 | 0.75 | POLB (0.54) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| SCHEMBL6063449 | 0.75 | OPRM1 (0.51) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| SCHEMBL9986991 | 0.74 | OPRM1 (0.54) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| SCHEMBL16902847 | 0.74 | OPRM1 (0.54) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| Water SCHEMBL27641336 | 0.74 | POLB (0.53) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| SCHEMBL2387108 | 0.74 | POLB (0.57) | CHRNB4CHRNA3POLBOPRM1OPRK1 | |
| SCHEMBL11503080 | 0.72 | LTA4H (0.43) | CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101624332-A | Novel compound with antitumor activity and application thereof | GUANZHOU INST OF BIOMEDICINE A | 2010-01-13 | — | — | CN | claimed |
| CN-101624332-B | Novel compound with antitumor activity and application thereof | GUANZHOU INST OF BIOMEDICINE AND HEALTH CHINESE ACADEMY OF SCIENCE | 2012-11-21 | — | — | CN | disclosed |
| CN-101624332-A | Novel compound with antitumor activity and application thereof | GUANZHOU INST OF BIOMEDICINE A | 2010-01-13 | — | — | CN | disclosed |