Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.61 |
| ▸ | RAB9A | P51151 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | USP2 | O75604 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.46 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.46 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.46 |
| ▸ | TDO2 | P48775 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL24089958 | 0.85 | USP2 (0.58) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL6278052 | 0.84 | MAPT (0.76) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL6279693 | 0.83 | KDM4E (0.62) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| Etaqualone SCHEMBL466318 | 0.81 | ALDH1A1 (0.73) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| Etaqualone SCHEMBL30726099 | 0.81 | ALDH1A1 (0.73) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| Etaqualone SCHEMBL30726094 | 0.81 | ALDH1A1 (0.73) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| Etaqualone SCHEMBL29357362 | 0.81 | ALDH1A1 (0.73) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL1129120 | 0.80 | ALDH1A1 (0.54) | MAPTSMN1; SMN2ALDH1A1RAB9APOLB | |
| SCHEMBL6280738 | 0.78 | KDM4E (0.57) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL32680073 | 0.78 | RAB9A (0.72) | MAPTKDM4ESMN1; SMN2ALDH1A1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996020178-A1 | NOVEL HETEROCYCLES AS CHOLECYSTOKININ (CCK) LIGANDS | WARNER-LAMBERT COMPANY (US) | 1996-07-04 | — | — | WO | claimed |
| US-6897213-B1 | Heterocycles as cholecystokinin (CCK) ligands | WARNER-LAMBERT COMPANY (US) | 2005-05-24 | — | — | US | disclosed |
| WO-1996020178-A1 | NOVEL HETEROCYCLES AS CHOLECYSTOKININ (CCK) LIGANDS | WARNER-LAMBERT COMPANY (US) | 1996-07-04 | — | — | WO | disclosed |