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Sugi Predict / Compounds / Histrelin

Histrelin

Histrelin

SCHEMBL19459949

CC(=O)O.CC(=O)O.CCNC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](Cc1cn(Cc2ccccc2)cn1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H]1CCC(=O)N1

nearest known ligand 0.68

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GNRHR

The experimentally established mechanism targets of Histrelin. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GNRHR known ✓ P30968 2/20 0.66
▸ ABCC2 Q92887 1/20 0.68
▸ PTGS1 P23219 1/20 0.61
▸ C5AR1 P21730 2/20 0.56
▸ APLNR P35414 3/20 0.52
▸ KISS1R Q969F8 1/20 0.50
▸ CXCR4 P61073 1/20 0.49

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.

Compoundsimilaritytop predictedshared targets
Histrelin SCHEMBL22288995 0.99 GNRHR (0.67) ABCC2GNRHRPTGS1C5AR1APLNR
Histrelin SCHEMBL1650282 0.99 GNRHR (0.67) ABCC2GNRHRPTGS1C5AR1APLNR
Histrelin SCHEMBL28130915 0.98 ABCC2 (0.66) ABCC2GNRHRPTGS1C5AR1APLNR
Histrelin SCHEMBL28869225 0.98 ABCC2 (0.65) ABCC2GNRHRPTGS1C5AR1APLNR
Histrelin SCHEMBL27724983 0.98 GNRHR (0.65) ABCC2GNRHRPTGS1C5AR1APLNR
SCHEMBL28672062 0.95 GNRHR (0.61) ABCC2GNRHRPTGS1C5AR1APLNR
Deslorelin SCHEMBL205614 0.95 ABCC2 (0.74) ABCC2GNRHRPTGS1C5AR1APLNR
Acetic Acid SCHEMBL5166423 0.95 ABCC2 (0.74) ABCC2GNRHRPTGS1C5AR1APLNR
Leuprolide SCHEMBL22288711 0.95 ABCC2 (0.74) ABCC2GNRHRPTGS1C5AR1APLNR
Leuprolide SCHEMBL29359846 0.95 ABCC2 (0.74) ABCC2GNRHRPTGS1C5AR1APLNR

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220334119-A1 PROTEIN PANELS FOR THE EARLY DIAGNOSIS/PROGNOSIS AND TREATMENT OF AGGRESSIVE PROSTATE CANCER THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES 2022-10-20 — — US disclosed
EP-4017993-A2 PROTEIN PANELS FOR THE EARLY DIAGNOSIS/PROGNOSIS AND TREATMENT OF AGGRESSIVE PROSTATE CANCER Battelle Memorial Institute (US) 2022-06-29 — — EP disclosed
US-11299786-B2 Gene panel to predict response to androgen deprivation in prostate cancer RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2022-04-12 — — US disclosed
CN-113906138-A Introduction of silencing activity into multiple functionally deregulated RNA molecules and modification of their specificity for a gene of interest 热带生物科学英国有限公司 2022-01-07 — — CN disclosed
CN-113840925-A Modifying the specificity of non-coding RNA molecules for silencing genes in eukaryotic cells 热带生物科学英国有限公司 2021-12-24 — — CN disclosed
WO-2021034975-A2 PROTEIN PANELS FOR THE EARLY DIAGNOSIS/PROGNOSIS AND TREATMENT OF AGGRESSIVE PROSTATE CANCER BATTELLE MEMORIAL INSTITUTE (US) 2021-02-25 — — WO disclosed
US-10725053-B2 Prostate cancer-associated secreted proteins BATTELLE MEMORIAL INSTITUTE (US) 2020-07-28 — — US disclosed
CN-110678543-A In vitro culture system and method of use 耶达研究及发展有限公司 2020-01-10 — — CN disclosed
CN-110418851-A The treatment of cancer and diagnostic method GENENTECH INC 2019-11-05 — — CN disclosed
US-20180164329-A1 PROSTATE CANCER-ASSOCIATED SECRETED PROTEINS BATTELLE MEMORIAL INSTITUTE 2018-06-14 — — US disclosed
US-20170299606-A1 IMMUNO-MALDI TO MEASURE AKT1 AND AKT2 PHOSPHORYLATION UVIC INDUSTRY PARTNERSHIPS INC. 2017-10-19 — — US disclosed