Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.52 |
| ▸ | GSK3B | P49841 | 1/20 | 0.52 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CASP3 | P42574 | 1/20 | 0.46 |
| ▸ | CASP2 | P42575 | 1/20 | 0.46 |
| ▸ | CASP7 | P55210 | 1/20 | 0.46 |
| ▸ | CASP6 | P55212 | 1/20 | 0.46 |
| ▸ | CASP8 | Q14790 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP2 | O95551 | 3/20 | 0.41 |
| ▸ | ATM | Q13315 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Urethane SCHEMBL6557515 | 0.85 | ALOX15 (0.65) | ALOX15IDO1TDO2ALDH1A1KMT2A | |
| Phthalimide SCHEMBL10495296 | 0.84 | GSK3B (0.54) | GSK3BIDO1TDO2ALDH1A1KMT2A | |
| Malonic Acid Diethyl Ester SCHEMBL27904592 | 0.83 | CYP1A2 (0.52) | GSK3BIDO1TDO2ALDH1A1KMT2A | |
| Diethyl Phthalate SCHEMBL27518710 | 0.81 | TSHR (0.70) | ALOX15GSK3BIDO1TDO2ALDH1A1 | |
| Phthalic Anhydride SCHEMBL28455726 | 0.81 | ALDH1A1 (0.59) | ALOX15IDO1TDO2ALDH1A1KMT2A | |
| Phthalimide SCHEMBL11427744 | 0.79 | L3MBTL1 (0.48) | GSK3BIDO1TDO2ALDH1A1KMT2A | |
| Saccharin SCHEMBL10384131 | 0.79 | CA12 (0.63) | ALOX15IDO1TDO2ALDH1A1KMT2A | |
| Naphthalene SCHEMBL9435323 | 0.77 | ALOX15 (0.65) | ALOX15ALDH1A1KMT2AMEN1KDM4E | |
| Phthalimide SCHEMBL8421052 | 0.77 | GSK3B (0.65) | ALOX15GSK3BIDO1TDO2ALDH1A1 | |
| O-Xylene SCHEMBL10812881 | 0.77 | ALOX15 (0.65) | ALOX15ALDH1A1KMT2AMEN1CYP1A2 |
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 9 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-1023061-A4 | SOMATOSTATIN AGONISTS | MERCK & CO INC (US) | 2001-04-11 | — | — | EP | disclosed |
| US-6117880-A | TREATMENT OF DIABETES, RETINOPATHY, RESTINOSIS, ACROMEGALY, AND DEPRESSION | MERCK & CO., INC. (US) | 2000-09-12 | — | — | US | disclosed |
| EP-1023061-A1 | SOMATOSTATIN AGONISTS | Merck & Co., Inc. (US) | 2000-08-02 | — | — | EP | 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 |
| WO-1999022735-A1 | SOMATOSTATIN AGONISTS | MERCK & CO., INC. (US) | 1999-05-14 | — | — | WO | disclosed |
| WO-1998044921-A1 | SOMATOSTATIN AGONISTS | MERCK & CO., INC. (US) | 1998-10-15 | — | — | WO | 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 |