Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.34 |
| ▸ | BCL2 | P10415 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | BCL2A1 | Q16548 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 3/20 | 0.32 |
| ▸ | MAOB | P27338 | 2/20 | 0.32 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | HTR1A | P08908 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL2139795 | 0.79 | — | — | |
| SCHEMBL8106395 | 0.73 | CALM1 (0.39) | KDM4ESMN1; SMN2ALDH1A1TAAR1CYP2A6 | |
| SCHEMBL8106410 | 0.72 | — | — | |
| SCHEMBL22050353 | 0.70 | KDM4E (0.52) | KDM4ESMN1; SMN2ALDH1A1TAAR1CYP2A6 | |
| SCHEMBL18301290 | 0.70 | TP53 (0.35) | TP53ALDH1A1KCNH2MAOAMAOB | |
| SCHEMBL2137371 | 0.69 | NPC1 (0.32) | SMN1; SMN2 | |
| SCHEMBL576902 | 0.69 | — | — | |
| SCHEMBL455831 | 0.69 | — | — | |
| SCHEMBL5150284 | 0.68 | HTT (0.41) | TP53ALDH1A1KCNH2MAOAMAOB | |
| SCHEMBL8939781 | 0.67 | CALM1 (0.41) | KDM4ESMN1; SMN2ALDH1A1TAAR1CYP2A6 |
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 |
|---|---|---|---|---|---|---|---|
| US-6133276-A | A LIGAND INHIBITOR OF A CRF/CRF-BINDING PROTEIN COMPLEX TO EFFECT INCREASED LEVELS OF CRF; 2,4-DIOXO- OR 2-THIOCARBONYL-4-OXO-5-(HYDROCARBYL(THIO)CARBONYLAMINOMETHYL)-6-HYDROXY-HEXA-HEXAHYDROPYRIMIDINES; ALZHEIMER'S, OBESITY; LOW SIDE EFFECTS | NEUROCRINE BIOSCIENCES, INC. (US) | 2000-10-17 | — | — | US | disclosed |