Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | CTRC | Q99895 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.33 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.33 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.31 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.31 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL27475804 | 0.98 | CYP2A6 (0.41) | CYP2A6CYP1A2BACE1CTRCALDH1A1 | |
| SCHEMBL5646728 | 0.84 | AHR (0.43) | CYP2A6CYP1A2ALDH1A1LMNAPTGS2 | |
| SCHEMBL1135192 | 0.83 | — | — | |
| SCHEMBL7469723 | 0.79 | CYP2A6 (0.40) | CYP2A6CYP1A2BACE1CTRCALDH1A1 | |
| SCHEMBL7814378 | 0.79 | CYP2A6 (0.40) | CYP2A6CYP1A2BACE1CTRCALDH1A1 | |
| SCHEMBL7821465 | 0.79 | CYP2A6 (0.40) | CYP2A6CYP1A2BACE1CTRCALDH1A1 | |
| SCHEMBL4281937 | 0.77 | HSD17B1 (0.48) | CYP1A2ESR2 | |
| SCHEMBL9512604 | 0.77 | CYP2A6 (0.41) | CYP2A6ALDH1A1HSD17B10HPGDNPC1 | |
| SCHEMBL3978906 | 0.76 | CYP2A6 (0.50) | CYP2A6CYP1A2BACE1CTRCALDH1A1 | |
| SCHEMBL5967116 | 0.75 | AHR (0.59) | ALDH1A1NPC1RAB9AKDM4EGAA |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | claimed |
| EP-1503997-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-02-09 | — | — | EP | claimed |
| WO-2003097617-A1 | CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2003-11-27 | — | — | WO | claimed |
| EP-2964635-A1 | ANTIVIRAL COMPOUNDS | F. Hoffmann-La Roche AG (CH) | 2016-01-13 | — | — | EP | disclosed |
| US-8937195-B2 | Method for producing the transition metal complex, catalyst for trimerization, method for producing 1-hexene, method for producing the substituted cyclopentadiene compound (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2015-01-20 | — | — | US | disclosed |
| WO-2014135495-A1 | ANTIVIRAL COMPOUNDS | F. HOFFMANN-LA ROCHE AG (CH) | 2014-09-12 | — | — | WO | disclosed |
| EP-2691406-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) | Sumitomo Chemical Company, Limited (JP) | 2014-02-05 | — | — | EP | disclosed |
| US-20140018564-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-01-16 | — | — | US | disclosed |
| WO-2012133924-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (1) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |
| WO-2012133935-A1 | METHOD FOR PRODUCING THE TRANSITION METAL COMPLEX, CATALYST FOR TRIMERIZATION, METHOD FOR PRODUCING 1-HEXENE, METHOD FOR PRODUCING THE SUBSTITUTED CYCLOPENTADIENE COMPOUND (3) | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-10-04 | — | — | WO | disclosed |
| WO-2005016883-A2 | ACRYLAMIDE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF | ICOS CORPORATION (US) | 2005-02-24 | — | — | WO | disclosed |
| EP-0707585-A1 | BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES | PFIZER INC. (US) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001980-A1 | BICYCLIC TETRAHYDRO PYRAZOLOPYRIDINES | PFIZER INC. (US) | 1995-01-19 | — | — | WO | disclosed |
| US-4239759-A | Morpholino containing compounds, compositions and use thereof | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1980-12-16 | — | — | US | disclosed |
| US-4151302-A | Araliphatic dihalogen compounds composition and method of use | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1979-04-24 | — | — | US | disclosed |
| US-4110447-A | Anti-inflammatory (halo-4-biphenylyl)-alkanolamines | MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) | 1978-08-29 | — | — | US | disclosed |
| US-4057647-A | Araliphatic dihalogen compounds and process for their preparation | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) | 1977-11-08 | — | — | US | disclosed |
| US-3968229-A | IMIDAZOLES | BAYER AKTIENGESELLSCHAFT (DT) | 1976-07-06 | — | — | US | disclosed |