Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.41 |
| ▸ | CA2 | P00918 | 4/20 | 0.41 |
| ▸ | CA4 | P22748 | 4/20 | 0.41 |
| ▸ | CA6 | P23280 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.33 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.33 |
| ▸ | APH1B | Q8WW43 | 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 | |
|---|---|---|---|---|
| SCHEMBL728940 | 0.94 | CA1 (0.46) | NPC1RAB9ASMN1; SMN2LMNACA1 | |
| SCHEMBL14720529 | 0.79 | — | — | |
| SCHEMBL27371972 | 0.79 | — | — | |
| SCHEMBL4347324 | 0.78 | NPC1 (0.47) | NPC1RAB9ASMN1; SMN2LMNACA1 | |
| SCHEMBL2691566 | 0.77 | — | — | |
| SCHEMBL9513383 | 0.77 | NPC1 (0.39) | NPC1RAB9ASMN1; SMN2LMNACA1 | |
| SCHEMBL8615642 | 0.76 | NPC1 (0.46) | NPC1RAB9ASMN1; SMN2LMNACA1 | |
| SCHEMBL29852107 | 0.74 | NPC1 (0.49) | NPC1RAB9ASMN1; SMN2LMNACA1 | |
| SCHEMBL11763977 | 0.74 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2LMNACA1 | |
| SCHEMBL6706718 | 0.74 | — | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632454-A1 | HIV INTEGRASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012058173-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2012058173-A1 | HIV INTEGRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| US-4439365-A | TRIPHENYLMETHOXY ALKENYLMAGNESIUM HALIDES | AMERICAN CYANAMID COMPANY (US) | 1984-03-27 | — | — | US | disclosed |
| US-4343949-A | PROSTAGLANDIN REARRANGEMENTS | AMERICAN CYANAMID COMPANY (US) | 1982-08-10 | — | — | US | disclosed |
| US-4180677-A | Novel prostaglandins | AMERICAN CYANAMID COMPANY (US) | 1979-12-25 | — | — | US | disclosed |
| US-4179574-A | PROSTAGLANDIN INTERMEDIATES | AMERICAN CYANAMID COMPANY (US) | 1979-12-18 | — | — | US | disclosed |
| US-4123456-A | BRONCHODILATORS, HYPOTENSIVES, ANTIULCER, ANTISECRETORY, MICROBIOCIDES, ANTICONVULSANTS, OXYTOCICS, ANALGESICS, DIURETICS, ANTIINFLAMMATORY, ANTICOAGULANTS | AMERICAN CYANAMID COMPANY (US) | 1978-10-31 | — | — | US | disclosed |
| US-4110368-A | PROSTAGLANDINS, BRONCHODILATOR, ANTIULCER | AMERICAN CYANAMID COMPANY (US) | 1978-08-29 | — | — | US | disclosed |
| US-4060540-A | BRONCHODILATORS, HYPOTENSIVE, ANTIULCER | AMERICAN CYANAMID COMPANY (US) | 1977-11-29 | — | — | US | disclosed |
| US-4007210-A | PROSTANOIC ACID DERIVATIVES | AMERICAN CYANAMID COMPANY (US) | 1977-02-08 | — | — | US | disclosed |
| US-3993674-A | ANTIULCER, BRONCHODILATOR, HYPOTENSIVE | AMERICAN CYANAMID COMPANY (US) | 1976-11-23 | — | — | US | disclosed |
| US-3966773-A | BRONCHODILATOR, HYPOTENSIVE, ANTIULCER | AMERICAN CYANAMID COMPANY (US) | 1976-06-29 | — | — | US | disclosed |
| US-3932479-A | BRONCHODILATOR, HYPOTENSIVE, ANTIULCER | AMERICAN CYANAMID COMPANY (US) | 1976-01-13 | — | — | US | disclosed |