Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1D | P28221 | 4/20 | 0.67 |
| ▸ | HTR1B | P28222 | 4/20 | 0.55 |
| ▸ | HTR1A | P08908 | 3/20 | 0.55 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | MTNR1A | P48039 | 5/20 | 0.53 |
| ▸ | MTNR1B | P49286 | 4/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.53 |
| ▸ | MPO | P05164 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NQO2 | P16083 | 1/20 | 0.53 |
| ▸ | HTR2B | P41595 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL9697617 | 0.92 | HTR1D (0.57) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL8557152 | 0.89 | MTNR1A (0.56) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL8538858 | 0.89 | CYP1A2 (0.56) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL9828421 | 0.87 | HTR1D (0.67) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL9827891 | 0.87 | HTR1D (0.67) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL8557536 | 0.85 | MTNR1A (0.57) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL8555709 | 0.84 | SLC6A4 (0.69) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL12720798 | 0.83 | CYP1A2 (0.76) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 | |
| SCHEMBL8540815 | 0.82 | FAAH (0.59) | HTR1DHTR1BHTR1ACYP1A2MTNR1A | |
| SCHEMBL8544087 | 0.82 | HTR1D (0.50) | HTR1DHTR1BHTR1ACYP1A2CYP2C9 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0241654-B1 | HYDROXYINDOLE ESTERS | MERCK PATENT GmbH (DE) | 1991-04-17 | — | — | EP | disclosed |
| US-4916143-A | Hydroxyindole esters | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-04-10 | — | — | US | disclosed |
| EP-0241654-A1 | Hydroxyindole esters | MERCK PATENT GmbH (DE) | 1987-10-21 | — | — | EP | disclosed |