Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 5/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.46 |
| ▸ | CD38 | P28907 | 2/20 | 0.44 |
| ▸ | STIM1 | Q13586 | 2/20 | 0.42 |
| ▸ | ORAI1 | Q96D31 | 2/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.42 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8721825 | 0.96 | CHRNB2 (0.45) | CHRNB2CHRNB4CHRNA3CHRNA4CD38 | |
| SCHEMBL8720745 | 0.80 | CHRNB2 (0.40) | CHRNB2CHRNB4CHRNA3CHRNA4CD38 | |
| SCHEMBL8721806 | 0.76 | CD38 (0.49) | CD38STIM1ORAI1HDAC3HDAC4 | |
| SCHEMBL8721842 | 0.76 | ALDH1A1 (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4CD38 | |
| SCHEMBL8725971 | 0.76 | SCN9A (0.41) | CHRNB2CHRNB4CHRNA3CHRNA4CD38 | |
| SCHEMBL8721889 | 0.76 | ALDH1A1 (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4ALDH1A1 | |
| SCHEMBL25136253 | 0.72 | CD38 (0.47) | CD38RAB9ANPC1 | |
| SCHEMBL30834342 | 0.72 | CD38 (0.47) | CD38RAB9ANPC1 | |
| SCHEMBL29182217 | 0.72 | CD38 (0.47) | CD38RAB9ANPC1 | |
| SCHEMBL25136114 | 0.71 | CD38 (0.44) | CD38ALDH1A1RAB9ANPC1 |
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-0700391-B1 | HERBICIDAL COMPOUNDS | SHELL INT RESEARCH (NL) | 1998-10-21 | — | — | EP | claimed |