Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACSL1 | P33121 | 1/20 | 0.47 |
| ▸ | ACACB | O00763 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | CASP3 | P42574 | 2/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | TLR9 | Q9NR96 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.36 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6188783 | 0.93 | TLR9 (0.47) | ACSL1ACACBTLR9TLR7 | |
| SCHEMBL6188276 | 0.91 | NPC1 (0.43) | ACSL1SMN1; SMN2NPC1RAB9ACASP3 | |
| SCHEMBL6185575 | 0.80 | NPC1 (0.40) | SMN1; SMN2POLBNPC1RAB9AKDM4E | |
| SCHEMBL6192472 | 0.78 | ACSL1 (0.43) | ACSL1ACACBSMN1; SMN2POLBNPC1 | |
| SCHEMBL6186053 | 0.75 | CYP3A4 (0.41) | — | |
| SCHEMBL6185748 | 0.73 | NPC1 (0.34) | NPC1RAB9AHDAC6KMT2A | |
| SCHEMBL6185503 | 0.73 | L3MBTL1 (0.39) | SMN1; SMN2NPC1RAB9AKDM4EHPGD | |
| SCHEMBL5901370 | 0.73 | PKM (0.49) | ACSL1SMN1; SMN2POLBKDM4ETLR9 | |
| SCHEMBL5965265 | 0.73 | PKM (0.49) | ACSL1SMN1; SMN2POLBKDM4ETLR9 | |
| SCHEMBL4040185 | 0.73 | PKM (0.49) | ACSL1SMN1; SMN2POLBKDM4ETLR9 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1567525-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2005-08-31 | — | — | EP | disclosed |
| WO-2004052887-A2 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |