Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 5/20 | 0.35 |
| ▸ | PSMB1 | P20618 | 2/20 | 0.34 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.34 |
| ▸ | PSMB2 | P49721 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | DRD1 | P21728 | 1/20 | 0.33 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.33 |
| ▸ | DRD3 | P35462 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4951889 | 1.00 | HRH3 (0.35) | HRH3PSMB1PSMB5PSMB2ALDH1A1 | |
| SCHEMBL12932707 | 0.97 | HTT (0.34) | HRH3PSMB1PSMB5PSMB2ALDH1A1 | |
| SCHEMBL20404160 | 0.82 | PSMB1 (0.31) | HRH3PSMB1PSMB5PSMB2ALDH1A1 | |
| SCHEMBL25453017 | 0.78 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2KDM4EKMT2A | |
| SCHEMBL13801830 | 0.78 | SMN1; SMN2 (0.39) | ALDH1A1SMN1; SMN2KDM4ESIGMAR1 | |
| SCHEMBL23424596 | 0.78 | ALDH1A1 (0.35) | ALDH1A1HTTKDM4E | |
| SCHEMBL25453013 | 0.78 | ALDH1A1 (0.34) | ALDH1A1SMN1; SMN2KDM4EKMT2A | |
| SCHEMBL13656337 | 0.76 | ALDH1A1 (0.49) | HRH3PSMB1PSMB5PSMB2ALDH1A1 | |
| SCHEMBL20314459 | 0.76 | — | — | |
| SCHEMBL10188545 | 0.76 | ALDH1A1 (0.35) | HRH3ALDH1A1HTTSMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-7435729-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2008-10-14 | — | — | US | disclosed |
| US-7279489-B2 | Compounds and methods for modulation of estrogen receptors | SIGNAL PHARMACEUTICALS, LLC (US) | 2007-10-09 | — | — | US | disclosed |