Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | BCHE | P06276 | 12/20 | 0.42 |
| ▸ | ACHE | P22303 | 10/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | RAD52 | P43351 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Decane SCHEMBL11776802 | 0.72 | HTT (0.57) | HTTKDM4EMEN1RGS12NPC1 | |
| Naphthalene SCHEMBL9764137 | 0.72 | HTT (0.57) | HTTKDM4EMEN1RGS12NPC1 | |
| Tetradecane SCHEMBL9931457 | 0.72 | HTT (0.57) | HTTKDM4EMEN1RGS12NPC1 | |
| SCHEMBL13621693 | 0.72 | HTT (0.52) | HTTKDM4EMEN1NPC1LMNA | |
| Naphthalene SCHEMBL11775581 | 0.72 | HTT (0.57) | HTTKDM4EMEN1RGS12NPC1 | |
| Naphthalene SCHEMBL11775588 | 0.72 | HTT (0.57) | HTTKDM4EMEN1RGS12NPC1 | |
| Dodecane SCHEMBL27909924 | 0.72 | HTT (0.57) | HTTKDM4EMEN1RGS12NPC1 | |
| SCHEMBL4423018 | 0.71 | ESR1 (0.47) | ACHEKDM4ELMNA | |
| SCHEMBL1963054 | 0.71 | HTT (1.00) | HTTBCHEACHE | |
| SCHEMBL9512245 | 0.71 | HTT (1.00) | HTTBCHEACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005066129-A2 | BIS-PYRIDINO CONTAINING COMPOUNDS FOR USE IN THE TREATMENT OF CNS PATHOLOGIES | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2005-07-21 | — | — | WO | claimed |