Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.37 |
| ▸ | CPT2 | P23786 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL11443213 | 0.79 | HMGCR (0.44) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL11434825 | 0.77 | TSHR (0.36) | TSHR | |
| SCHEMBL14342759 | 0.72 | HMGCR (0.52) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL786270 | 0.72 | HMGCR (0.52) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL21986554 | 0.69 | — | — | |
| SCHEMBL8924888 | 0.64 | — | — | |
| SCHEMBL1395630 | 0.64 | — | — | |
| SCHEMBL14139929 | 0.64 | HMGCR (0.42) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 | |
| SCHEMBL31073589 | 0.63 | — | — | |
| SCHEMBL48109 | 0.63 | KDM4E (0.65) | HMGCRCHRM1TBXA2RADRA1ACYP2C19 |
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-4216216-A | TREATING MIGRAINE HEADACHES, ANTI-HISTAMINES | HOECHST AKTIENGESELLSCHAFT (DE) | 1980-08-05 | — | — | US | disclosed |