Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.50 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.50 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 7/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 7/20 | 0.41 |
| ▸ | KIF11 | P52732 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | HRH1 | P35367 | 2/20 | 0.40 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6233655 | 0.98 | KEAP1 (0.48) | KEAP1NFE2L2KCNN4CHRM2CHRM1 | |
| SCHEMBL10709838 | 0.80 | KEAP1 (0.48) | KEAP1NFE2L2KCNN4CHRM2CHRM1 | |
| SCHEMBL15412916 | 0.77 | KEAP1 (0.46) | KEAP1NFE2L2KCNN4CHRM2CHRM1 | |
| SCHEMBL19414026 | 0.76 | KEAP1 (0.48) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL4610363 | 0.74 | KEAP1 (0.43) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL1411424 | 0.74 | KEAP1 (0.61) | KEAP1NFE2L2KCNN4CHRM2CHRM1 | |
| SCHEMBL1410564 | 0.74 | KEAP1 (0.61) | KEAP1NFE2L2KCNN4CHRM2CHRM1 | |
| SCHEMBL10995009 | 0.73 | KEAP1 (0.50) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL11868460 | 0.73 | KEAP1 (0.50) | KEAP1NFE2L2CHRM2CHRM1CHRM3 | |
| SCHEMBL1403926 | 0.73 | KEAP1 (0.50) | KEAP1NFE2L2CHRM2CHRM1CHRM3 |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1149629-A1 | Hydrogenation of aromatic amines using lithium aluminate as the catalyst support | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2001-10-31 | — | — | EP | disclosed |
| US-6184416-B1 | THE USE OF A RHODIUM CATALYST CARRIED ON A LITHIUM ALUMINATE (LIAL5O8) SUPPORT RING HYDROGENATE AROMATIC AMINES; CATALYST SELECTIVITY; REUSE OF THE CATALYST; CAN BE USED WITH ALKALI METAL REACTION PROMOTERS; LOW WATER SOLUBILITY; KINETICS | AIR PRODUCTS AND CHEMICALS, INC. | 2001-02-06 | — | — | US | disclosed |
| US-6140540-A | USING MIXTURE OF COBALT WITH RHODIUM, RUTHENIUM, PALLADIUM AND, OR PLATIMUM | AIR PRODUCTS AND CHEMICALS, INC. (US) | 2000-10-31 | — | — | US | disclosed |
| EP-0781267-B1 | METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES | ARCO CHEM TECH (US) | 2000-02-09 | — | — | EP | disclosed |
| EP-0781267-A4 | METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES | ARCO CHEM TECH (US) | 1997-11-05 | — | — | EP | disclosed |
| EP-0618188-B1 | Process for the preparation of cyclohexylamines by catalytic hydrogenation of anilines | AIR PROD & CHEM (US) | 1997-09-17 | — | — | EP | disclosed |
| EP-0781267-A1 | METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES | ARCO Chemical Technology, L.P. (US) | 1997-07-02 | — | — | EP | disclosed |
| US-5550294-A | REACTING IN PRESENCE OF A NOBLE METAL CATALYST, A WATER MISCIBLE ORGANIC SOLVENT, LITHIUM HYDROXIDE CATALYST PROMOTER, AND WATER; BY-PRODUCT INHIBITION | OLIN CORPORATION (US) | 1996-08-27 | — | — | US | disclosed |
| US-5545756-A | RHODIUM HYDROGENATION CATALYST ON SUPPORT | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1996-08-13 | — | — | US | disclosed |
| WO-1996008462-A1 | METHOD OF INCREASING HYDROGENATION RATE OF AROMATIC AMINES | ARCO CHEMICAL TECHNOLOGY, L.P. (US) | 1996-03-21 | — | — | WO | disclosed |
| EP-0618188-A2 | Process for the preparation of cyclohexylamines by catalytic hydrogenation of anilines | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1994-10-05 | — | — | EP | disclosed |
| EP-0392435-B1 | HYDROGENATION OF AROMATIC AMINES USING RHODIUM ON TITANIA OR ZIRCONIA SUPPORT | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1993-09-29 | — | — | EP | disclosed |
| WO-1993016030-A1 | PROMOTERS FOR HYDROGENATION OF AROMATIC AMINES | OLIN CORPORATION (US) | 1993-08-19 | — | — | WO | disclosed |
| US-5214212-A | Salt of transition or lanthanide metal as a promoter, reaction of methylenedianiline to produce corresponding cyclohexyl compound | OLIN CORPORATION (US) | 1993-05-25 | — | — | US | disclosed |
| US-5026914-A | Catalyst selectivity | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1991-06-25 | — | — | US | disclosed |
| EP-0392435-A1 | Hydrogenation of aromatic amines using rhodium on titania or zirconia support | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1990-10-17 | — | — | EP | disclosed |