Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN1 | Q05586 | 3/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.37 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.35 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.35 |
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 SCHEMBL7854790 | 0.99 | GRIN1 (0.40) | GRIN1GRIN2BPARP1LMNATP53 | |
| SCHEMBL7849687 | 0.92 | PARP1 (0.38) | PARP1MTNR1BRAB9AHDAC3HDAC1 | |
| Hydrochloric Acid SCHEMBL7847775 | 0.91 | PARP1 (0.37) | PARP1MTNR1BRAB9AHDAC3HDAC1 | |
| SCHEMBL7853100 | 0.89 | CCR1 (0.34) | PARP1HDAC3HDAC1HDAC2HDAC8 | |
| Hydrochloric Acid SCHEMBL7850883 | 0.89 | POLB (0.40) | GRIN1GRIN2BPARP1LMNAMTNR1A | |
| SCHEMBL7843497 | 0.89 | KMT2A (0.41) | LMNATP53MTNR1BMAPTALOX5 | |
| Hydrochloric Acid SCHEMBL7852471 | 0.88 | CCR1 (0.40) | PARP1 | |
| Hydrochloric Acid SCHEMBL7852294 | 0.88 | HDAC1 (0.36) | GRIN1GRIN2BHDAC3HDAC1HDAC2 | |
| Hydrochloric Acid SCHEMBL7850606 | 0.88 | KMT2A (0.40) | LMNATP53MTNR1BMAPTALOX5 | |
| SCHEMBL7838935 | 0.88 | KMT2A (0.40) | LMNATP53MTNR1BNPC1MAPT |
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 |