Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMPD1 | P17405 | 1/20 | 0.39 |
| ▸ | FAAH | O00519 | 6/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.35 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8779023 | 0.96 | KDM4E (0.36) | SMPD1FAAHCYP1A2CYP2D6MAPT | |
| SCHEMBL8779132 | 0.93 | ACACB (0.34) | FAAHLMNACYP2C19MAPTOPRK1 | |
| SCHEMBL8779296 | 0.88 | MEN1 (0.33) | MEN1KMT2A | |
| SCHEMBL8779424 | 0.88 | MAPK8 (0.37) | NPC1MEN1MAPTKMT2ASMN1; SMN2 | |
| SCHEMBL8779185 | 0.85 | ACACB (0.37) | MEN1KMT2ATSHR | |
| SCHEMBL8779211 | 0.84 | MEN1 (0.40) | NPC1CYP3A4CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL8779357 | 0.83 | GPR88 (0.32) | — | |
| SCHEMBL8779178 | 0.82 | PRKD3 (0.33) | SMPD1NPC1MAPTSMN1; SMN2TP53 | |
| SCHEMBL8882595 | 0.81 | SMPD1 (0.43) | SMPD1LMNACYP3A4MEN1NR1I2 | |
| SCHEMBL8779309 | 0.80 | L3MBTL1 (0.39) | CYP1A2CYP2C9CYP2C19MAPT |
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-0661269-B1 | Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments | HOECHST AG (DE) | 1997-03-26 | — | — | EP | disclosed |
| EP-0661269-A1 | Substituted heterocyclic carboxylic acid amides, their preparation and their use as medicaments | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-07-05 | — | — | EP | disclosed |