Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.30 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.30 |
| ▸ | DRD1 | P21728 | 1/20 | 0.30 |
| ▸ | HRH2 | P25021 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL5868446 | 0.92 | AKR1B10 (0.33) | TSHR | |
| SCHEMBL758775 | 0.83 | — | — | |
| SCHEMBL28195917 | 0.78 | CYP1A2 (0.39) | CYP2C19CYP1A2 | |
| SCHEMBL8605565 | 0.78 | TSHR (0.36) | TSHR | |
| Cyclohexanol SCHEMBL1303879 | 0.76 | TSHR (0.40) | CYP2C19TSHRCYP1A2 | |
| SCHEMBL955188 | 0.75 | CYP2C19 (0.34) | CYP2C19TSHRALDH1A1 | |
| SCHEMBL6062608 | 0.75 | CYP2C19 (0.34) | CYP2C19TSHRALDH1A1 | |
| SCHEMBL355528 | 0.75 | CYP2C19 (0.34) | CYP2C19TSHRALDH1A1 | |
| SCHEMBL43020 | 0.75 | — | — | |
| SCHEMBL31012064 | 0.74 | TSHR (0.41) | TSHRALDH1A1L3MBTL1HSD17B10 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4939258-A | Cycloalkanol esters of dihydrolysergic acid | ELI LILLY AND COMPANY (US) | 1990-07-03 | — | — | US | disclosed |
| US-4906639-A | Cycloalkanol esters of dihydrolysergic acid | ELI LILLY AND COMPANY (US) | 1990-03-06 | — | — | US | disclosed |
| US-4845224-A | Cycloalkanol esters of dihydrolysergic acid having peripheral serotonin antagonist properties | ELI LILLY AND COMPANY (US) | 1989-07-04 | — | — | US | disclosed |
| US-4810710-A | SEROTONIN BLOCKERS | ELI LILLY AND COMPANY (US) | 1989-03-07 | — | — | US | disclosed |
| US-4762842-A | SEROTONIN ANTAGONIST | ELI LILLY AND COMPANY (US) | 1988-08-09 | — | — | US | disclosed |
| US-4713384-A | HYPOTENSIVE AND ANTIMIGRAINE AGENTS | ELI LILLY AND COMPANY (US) | 1987-12-15 | — | — | US | disclosed |
| US-4683236-A | ANTISEROTONIN AGENTS | ELI LILLY AND COMPANY (US) | 1987-07-28 | — | — | US | disclosed |