Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | BRD4 | O60885 | 6/20 | 0.41 |
| ▸ | PI4KA | P42356 | 2/20 | 0.41 |
| ▸ | PI4K2B | Q8TCG2 | 2/20 | 0.41 |
| ▸ | PI4K2A | Q9BTU6 | 2/20 | 0.41 |
| ▸ | PI4KB | Q9UBF8 | 2/20 | 0.41 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | DRD3 | P35462 | 1/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | G6PD | P11413 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.38 |
| ▸ | CYP3A5 | P20815 | 3/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 2/20 | 0.37 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.37 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | PRKACA | P17612 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL1165291 | 0.78 | ALDH1A1 (0.42) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL19778900 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL323982 | 0.74 | ALDH1A1 (0.52) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL29367441 | 0.74 | PI4KA (0.50) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL22830483 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL7108989 | 0.74 | PI4KA (0.50) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL1165562 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL29804946 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL30788403 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A | |
| SCHEMBL2009562 | 0.74 | ALDH1A1 (0.46) | ALDH1A1BRD4PI4KAPI4K2BPI4K2A |
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 8 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-20170107214-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2017-04-20 | — | — | US | disclosed |
| EP-3122741-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | Actelion Pharmaceuticals Ltd (CH) | 2017-02-01 | — | — | EP | disclosed |
| WO-2015145322-A1 | 8-(PIPERAZIN-1-YL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE DERIVATIVES | ACTELION PHARMACEUTICALS LTD (CH) | 2015-10-01 | — | — | WO | disclosed |
| US-7595317-B2 | Barbituric acid derivatives as inhibitors of TNF-α converting enzyme (TACE) and/or matrix metalloproteinases | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-09-29 | — | — | US | disclosed |
| US-7294624-B2 | Osteoporosis; antiarthritic agents | BRISTOL MYERS SQUIBB COMPANY (US) | 2007-11-13 | — | — | US | disclosed |
| US-20070167451-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | DUAN JINGWU | 2007-07-19 | — | — | US | 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 (2 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 | ALDH1A1 1163/4885BRD4 205/4885PI4KA 1511/4885 |
| US-20070167451-A1 | BARBITURIC ACID DERIVATIVES AS INHIBITORS OF TNF-alpha CONVERTING ENZYME (TACE) AND/OR MATRIX METALLOPROTEINASES | TNF, MMP9, MMP3 | ALDH1A1 839/4885BRD4 2240/4885PI4KA 4633/4885 |
“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.