Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.55 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.55 |
| ▸ | ABHD6 | Q9BV23 | 3/20 | 0.49 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.46 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.46 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.46 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.46 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.44 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.44 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.44 |
| ▸ | CPT2 | P23786 | 1/20 | 0.43 |
| ▸ | CPT1A | P50416 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL25604192 | 0.84 | ESR1 (0.56) | ESR1ESR2ABHD6EP300CREBBP | |
| SCHEMBL3885156 | 0.83 | ESR1 (0.51) | ESR1ESR2ABHD6ALDH1A1HTT | |
| SCHEMBL10067648 | 0.83 | ESR1 (0.58) | ESR1ESR2 | |
| SCHEMBL587897 | 0.83 | ABHD6 (0.69) | ESR1ESR2ABHD6EP300CREBBP | |
| SCHEMBL13082466 | 0.82 | CYP2D6 (0.51) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL9270908 | 0.81 | NOTUM (0.61) | ADRA2ACYP2D6ADRA2BADRA2CADRA1D | |
| SCHEMBL9913538 | 0.81 | ESR1 (0.49) | ESR1ESR2ABHD6EP300CREBBP | |
| SCHEMBL3434544 | 0.80 | ABHD6 (0.53) | ESR1ESR2ABHD6CYP2D6ALDH1A1 | |
| SCHEMBL25589681 | 0.80 | ABHD6 (0.49) | ESR1ESR2ABHD6EP300CREBBP | |
| SCHEMBL9913535 | 0.80 | ABHD6 (0.49) | ESR1ESR2ABHD6EP300CREBBP |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3122741-B1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-06-06 | — | — | EP | disclosed |
| US-9951063-B2 | 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-04-24 | — | — | US | disclosed |
| US-9951063-B2 | 8-(piperazin-1-yl)-1,2,3,4-tetrahydro-isoquinoline derivatives | IDORSIA PHARMACEUTICALS LTD (CH) | 2018-04-24 | — | — | US | disclosed |
| US-20170107214-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2017-04-20 | — | — | US | disclosed |
| US-20170107214-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2017-04-20 | — | — | US | disclosed |
| WO-2015145322-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2015-10-01 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20170107214-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | CXCR3, CXCR1, CXCR2 | ESR1 938/4885ESR2 900/4885ABHD6 4504/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.