Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.57 |
| ▸ | HRH1 | P35367 | 6/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.57 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.57 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.56 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.50 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.50 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | APP | P05067 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6072800 | 0.83 | TAS1R3 (0.47) | HRH3HRH1CYP2D6CHRM1KCNH2 | |
| SCHEMBL6072764 | 0.82 | HRH1 (0.65) | HRH1CYP2D6CHRM1KCNH2HTR2A | |
| SCHEMBL6073268 | 0.78 | HRH1 (0.52) | HRH1CYP2D6CHRM1KCNH2TDP1 | |
| SCHEMBL6072732 | 0.77 | HRH1 (0.58) | HRH1CYP2D6CHRM1KCNH2TAS1R3 | |
| SCHEMBL6072979 | 0.77 | HRH1 (0.45) | HRH1CYP2D6CHRM1KCNH2TAS1R3 | |
| SCHEMBL6072759 | 0.77 | HRH1 (0.58) | HRH1CYP2D6CHRM1KCNH2TAS1R3 | |
| Betahistine SCHEMBL125582 | 0.75 | HRH3 (1.00) | HRH3HRH1CYP2D6LMNAALDH1A1 | |
| Betahistine SCHEMBL28346535 | 0.75 | HRH3 (1.00) | HRH3HRH1CYP2D6LMNAALDH1A1 | |
| Betahistine SCHEMBL29354603 | 0.75 | HRH3 (1.00) | HRH3HRH1CYP2D6LMNAALDH1A1 | |
| SCHEMBL4842386 | 0.74 | HRH1 (0.76) | HRH1CYP2D6CHRM1KCNH2HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006019497-A2 | SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-02-23 | — | — | WO | claimed |
| WO-2006019497-A2 | SLEEP-INDUCING COMPOUNDS AND METHODS RELATED THERETO | NEUROCRINE BIOSCIENCES, INC. (US) | 2006-02-23 | — | — | WO | disclosed |