Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CREBBP | Q92793 | 1/20 | 0.50 |
| ▸ | KAT2A | Q92830 | 1/20 | 0.50 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.50 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.48 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | MMP2 | P08253 | 3/20 | 0.47 |
| ▸ | MMP3 | P08254 | 3/20 | 0.47 |
| ▸ | MMP9 | P14780 | 3/20 | 0.47 |
| ▸ | MMP13 | P45452 | 3/20 | 0.47 |
| ▸ | MMP1 | P03956 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL30657546 | 1.00 | CREBBP (0.50) | CREBBPKAT2AKAT2BCYP1B1CA12 | |
| SCHEMBL7582920 | 1.00 | CREBBP (0.50) | CREBBPKAT2AKAT2BCYP1B1CA12 | |
| SCHEMBL30657547 | 1.00 | CREBBP (0.50) | CREBBPKAT2AKAT2BCYP1B1CA12 | |
| SCHEMBL1581709 | 0.87 | CYP1B1 (0.59) | CYP1B1CA12CA9TRPA1CYP1A2 | |
| SCHEMBL11893773 | 0.85 | KMT2A (0.53) | CREBBPKAT2AKAT2BCYP1B1BACE1 | |
| SCHEMBL11949739 | 0.85 | KMT2A (0.53) | CREBBPKAT2AKAT2BCYP1B1BACE1 | |
| SCHEMBL12798790 | 0.85 | KMT2A (0.53) | CREBBPKAT2AKAT2BCYP1B1BACE1 | |
| SCHEMBL28872170 | 0.82 | CYP1B1 (0.52) | CYP1B1CA12CA9TRPA1CYP1A2 | |
| SCHEMBL21598051 | 0.82 | CYP1A2 (0.54) | CYP1B1CA12CA9TRPA1CYP1A2 | |
| Cyanide SCHEMBL27937317 | 0.82 | CYP1B1 (0.55) | CYP1B1CA12CA9TRPA1CYP1A2 |
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-0772590-B1 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-10-09 | — | — | EP | disclosed |
| EP-1129076-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2001-09-05 | — | — | EP | disclosed |
| US-6117880-A | TREATMENT OF DIABETES, RETINOPATHY, RESTINOSIS, ACROMEGALY, AND DEPRESSION | MERCK & CO., INC. (US) | 2000-09-12 | — | — | US | disclosed |
| WO-2000029380-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES AS LHRH ANTAGONISTS | ABBOTT LABORATORIES (US) | 2000-05-25 | — | — | WO | disclosed |
| US-6057338-A | USEFUL IN THE TREATMENT OF DIABETES, CANCER, ACROMEGALY, RESTENOSIS, DEPRESSION, IRRITABLE BOWEL SYNDROME, PAIN AND DIABETIC RETINOPATHY | MERCK & CO., INC. (US) | 2000-05-02 | — | — | US | 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 |
| US-5714485-A | Piperidine and hexahydropyridazine thrombin inhibitors | MERCK & CO., INC. (US) | 1998-02-03 | — | — | US | disclosed |
| US-5510369-A | ANTICOAGULANTS | MERCK & CO., INC. (US) | 1996-04-23 | — | — | US | disclosed |