Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PSMB8 | P28062 | 1/20 | 0.53 |
| ▸ | GRM5 | P41594 | 8/20 | 0.53 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10881236 | 0.84 | PSMB8 (0.70) | PSMB8CYP1A2NPC1RAB9AKDM4E | |
| SCHEMBL27874218 | 0.76 | PSMB8 (0.59) | PSMB8GRM5CYP1A2NPC1RAB9A | |
| SCHEMBL12469476 | 0.76 | PSMB8 (0.59) | PSMB8CYP1A2NPC1RAB9AKDM4E | |
| SCHEMBL27890575 | 0.75 | PSMB8 (0.54) | PSMB8GRM5CYP1A2NPC1RAB9A | |
| SCHEMBL352291 | 0.74 | GRM5 (0.65) | GRM5KCNH2CYP1A2 | |
| SCHEMBL7317137 | 0.74 | GRM5 (0.51) | PSMB8GRM5CYP1A2NPC1RAB9A | |
| SCHEMBL103136 | 0.74 | NPC1 (0.55) | GRM5KCNH2CYP1A2NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL103138 | 0.73 | NPC1 (0.54) | GRM5KCNH2CYP1A2NPC1RAB9A | |
| SCHEMBL5968335 | 0.73 | PSMB8 (0.70) | PSMB8CYP1A2NPC1RAB9AKDM4E | |
| SCHEMBL3083786 | 0.71 | PSMB8 (0.68) | PSMB8CYP1A2NPC1RAB9AKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-102659708-A | Structure and preparation method for heterocyclic aryl acetylene compounds containing benzoxazole and benzothiazole groups | UNIV BEIJING CHEMICAL | 2012-09-12 | — | — | CN | claimed |
| CN-102659708-A | Structure and preparation method for heterocyclic aryl acetylene compounds containing benzoxazole and benzothiazole groups | UNIV BEIJING CHEMICAL | 2012-09-12 | — | — | CN | disclosed |
| EP-0785927-B1 | NOVEL BENZOXAZOLES | EURO CELTIQUE SA (LU) | 2003-08-27 | — | — | EP | disclosed |
| US-6372770-B1 | TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF | EURO-CELTIQUE, S.A. | 2002-04-16 | — | — | US | disclosed |
| EP-0785927-A4 | NOVEL BENZOXAZOLES | EURO CELTIQUE SA (LU) | 1997-12-29 | — | — | EP | disclosed |
| US-5665737-A | PHOSPHODIESTERASE INHIBITORS | EURO-CELTIQUE, S.A. (LU) | 1997-09-09 | — | — | US | disclosed |
| EP-0785927-A1 | NOVEL BENZOXAZOLES | Euroceltique S.A. (LU) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011917-A1 | NOVEL BENZOXAZOLES | EURO-CELTIQUE, S.A. (LU) | 1996-04-25 | — | — | WO | disclosed |