Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | SCN7A | Q01118 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CHRNB2 | P17787 | 5/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 5/20 | 0.39 |
| ▸ | CHRNA3 | P32297 | 5/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 5/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | CD38 | P28907 | 2/20 | 0.37 |
| ▸ | CNR1 | P21554 | 1/20 | 0.36 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.35 |
| ▸ | CRHR1 | P34998 | 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 | |
|---|---|---|---|---|
| SCHEMBL8721842 | 0.98 | ALDH1A1 (0.41) | SCN9ASCN7AKCNH2SCN5AALDH1A1 | |
| SCHEMBL8721889 | 0.97 | ALDH1A1 (0.43) | SCN9ASCN7AKCNH2SCN5AALDH1A1 | |
| SCHEMBL8720745 | 0.96 | CHRNB2 (0.40) | SCN9ASCN7AKCNH2SCN5AALDH1A1 | |
| SCHEMBL8720539 | 0.83 | CACNA1I (0.40) | SCN9AKCNH2ALDH1A1KMT2ACNR1 | |
| SCHEMBL8720597 | 0.81 | KMT2A (0.39) | SCN9AALDH1A1RAB9AKMT2A | |
| SCHEMBL8720573 | 0.81 | KMT2A (0.39) | SCN9AALDH1A1KMT2A | |
| SCHEMBL8721825 | 0.81 | CHRNB2 (0.45) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL8725888 | 0.79 | CBLB (0.45) | KCNH2ALDH1A1NPC1TSHRRAB9A | |
| SCHEMBL8725981 | 0.79 | XPO1 (0.40) | ALDH1A1KMT2ACD38 | |
| SCHEMBL8721044 | 0.78 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2KMT2A |
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 |