Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.34 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | LTA4H | P09960 | 1/20 | 0.31 |
| ▸ | GPR88 | Q9GZN0 | 1/20 | 0.31 |
| ▸ | BRS3 | P32247 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HTR3A | P46098 | 1/20 | 0.31 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.30 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.30 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.30 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.30 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.30 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.30 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.30 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10229782 | 0.80 | CYP1A2 (0.51) | CYP1A2CYP2D6HRH3CXCR4PPARG | |
| SCHEMBL24105600 | 0.77 | HRH3 (0.39) | CYP1A2CYP2D6HRH3PPARGTDP1 | |
| SCHEMBL507751 | 0.74 | CXCR4 (0.40) | CYP1A2CYP2D6HRH3CXCR4LTA4H | |
| SCHEMBL5732523 | 0.74 | CXCR4 (0.40) | CYP1A2CYP2D6HRH3CXCR4LTA4H | |
| SCHEMBL18924441 | 0.73 | CXCR4 (0.37) | CYP1A2CYP2D6HRH3CXCR4LTA4H | |
| SCHEMBL18924369 | 0.73 | IDO1 (0.36) | — | |
| SCHEMBL18924317 | 0.73 | HRH3 (0.31) | CYP1A2CYP2D6HRH3 | |
| SCHEMBL19891693 | 0.73 | PIK3CD (0.36) | CYP1A2CYP2D6HRH3 | |
| SCHEMBL24105601 | 0.73 | ADORA3 (0.31) | CYP1A2CYP2D6HRH3 | |
| SCHEMBL14588227 | 0.72 | HRH3 (0.49) | CYP1A2CYP2D6HRH3CXCR4PPARG |
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-9670172-B2 | Heterocyclic compounds and methods of use | MEDIVATION TECHNOLOGIES, INC. (US) | 2017-06-06 | — | — | US | disclosed |