Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 4/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | ELANE | P08246 | 3/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | F2 | P00734 | 1/20 | 0.37 |
| ▸ | PLAU | P00749 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL18842662 | 0.76 | TSHR (0.46) | MAPK1NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL23013906 | 0.76 | HTT (0.43) | ADORA3MAPK1CYP1A2NPC1RAB9A | |
| SCHEMBL8354136 | 0.73 | KDM4E (0.39) | ALDH1A1PTGS2KDM4E | |
| SCHEMBL10204204 | 0.72 | PDE2A (0.53) | NPC1RAB9ASMN1; SMN2ALDH1A1KDM4E | |
| SCHEMBL17729452 | 0.70 | TSHR (0.47) | MAPK1CYP1A2NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL21033150 | 0.69 | HTR6 (0.39) | CYP1A2PTGS1PTGS2LMNAKDM4E | |
| SCHEMBL31035784 | 0.69 | KDM4E (0.49) | MAPK1CYP1A2NPC1RAB9AALDH1A1 | |
| SCHEMBL21001663 | 0.69 | KDM4E (0.45) | RAB9ASMN1; SMN2ALDH1A1PTGS2KDM4E | |
| SCHEMBL23013511 | 0.69 | ALDH1A1 (0.44) | ADORA3NPC1RAB9ASMN1; SMN2ALDH1A1 | |
| SCHEMBL17883350 | 0.68 | HTR6 (0.38) | ADORA3PTGS2LMNAKDM4E |
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-2003006471-A1 | HETEROARYL SUBSTITUTED FUSED BICYCLIC HETEROARYL COMPOUNDS AS GABAA RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2003-01-23 | — | — | WO | disclosed |