Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 1/20 | 0.38 |
| ▸ | CCR3 | P51677 | 1/20 | 0.38 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.34 |
| ▸ | DRD2 | P14416 | 3/20 | 0.34 |
| ▸ | DRD1 | P21728 | 3/20 | 0.34 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.34 |
| ▸ | CACNA1H | O95180 | 1/20 | 0.33 |
| ▸ | CACNA1I | Q9P0X4 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ESR1 | P03372 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7854877 | 0.99 | CCR1 (0.38) | CCR1CCR3CACNA1GDRD2DRD1 | |
| SCHEMBL7852462 | 0.96 | CCR1 (0.37) | CCR1CCR3CACNA1GDRD2DRD1 | |
| Hydrochloric Acid SCHEMBL7852510 | 0.95 | CCR1 (0.37) | CCR1CCR3CACNA1GDRD2DRD1 | |
| SCHEMBL7849687 | 0.92 | PARP1 (0.38) | CCR1CCR3CACNA1GCACNA1HCACNA1I | |
| Hydrochloric Acid SCHEMBL7852471 | 0.91 | CCR1 (0.40) | CCR1CCR3CACNA1GDRD2CACNA1H | |
| Hydrochloric Acid SCHEMBL7847775 | 0.91 | PARP1 (0.37) | CCR1CCR3CACNA1GDRD2CACNA1H | |
| Hydrochloric Acid SCHEMBL7852294 | 0.89 | HDAC1 (0.36) | CCR1CCR3CACNA1GDRD2CHRM5 | |
| SCHEMBL7853100 | 0.89 | CCR1 (0.34) | CCR1CCR3CACNA1GDRD1CACNA1H | |
| Hydrochloric Acid SCHEMBL7851623 | 0.88 | CCR3 (0.42) | CCR1CCR3DRD2LIPGHCRTR1 | |
| SCHEMBL8405521 | 0.88 | CCR5 (0.38) | HCRTR1HCRTR2KMT2ACHRM5CHRM1 |
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-1129076-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2001-09-05 | — | — | EP | disclosed |
| WO-2000029380-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2000-05-25 | — | — | WO | disclosed |
| US-5981521-A | USEFUL FOR TREATING VARIOUS HORMONE DEPENDENT DISEASES, INCLUDING PROSTATE CANCER, ENDOMETRIOSIS, UTERINE FIBROIDS, PRECOCIOUS PUBERTY, BENIGN PROSTATE HYPERTROPY AND IN VITRO FERTILIZATION | ABBOTT LABORATORIES (US) | 1999-11-09 | — | — | US | disclosed |