Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 3/20 | 0.40 |
| ▸ | GRIN3B | O60391 | 3/20 | 0.40 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.40 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.40 |
| ▸ | GRIN2C | Q14957 | 3/20 | 0.40 |
| ▸ | GRIN3A | Q8TCU5 | 3/20 | 0.40 |
| ▸ | AGXT | P21549 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.40 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 3/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HCRTR2 | O43614 | 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 | |
|---|---|---|---|---|
| SCHEMBL30556750 | 0.86 | IDO1 (0.46) | TAAR1CYP1A2CYP2A6GRIN2DGRIN3B | |
| SCHEMBL18779904 | 0.80 | GRIN2D (0.41) | TAAR1CYP1A2CYP2A6GRIN2DGRIN3B | |
| SCHEMBL14402400 | 0.80 | GRIN2D (0.41) | TAAR1CYP1A2CYP2A6GRIN2DGRIN3B | |
| SCHEMBL5936696 | 0.80 | CYP3A4 (0.46) | TAAR1CYP1A2CYP2A6GRIN2DGRIN3B | |
| SCHEMBL27465388 | 0.80 | LOXL2 (0.48) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL26238707 | 0.80 | GRIN2D (0.41) | TAAR1CYP1A2CYP2A6GRIN2DGRIN3B | |
| SCHEMBL11827547 | 0.78 | PPARG (0.42) | TAAR1CYP1A2CYP2A6GRIN2DGRIN3B | |
| SCHEMBL3053218 | 0.78 | IDO1 (0.50) | TAAR1CYP1A2CYP2A6GRIN2DGRIN3B | |
| SCHEMBL6605532 | 0.78 | HTR2A (0.46) | TAAR1CYP1A2GRIN2DGRIN3BADRA1A | |
| SCHEMBL16434845 | 0.78 | LOXL2 (0.50) | TAAR1CYP1A2AGXTIDO1PPARG |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7163935-B2 | Scorpionate-like pendant macrocyclic ligands, complexes and compositions thereof, and methods of using same | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2007-01-16 | — | — | US | disclosed |
| US-6288224-B1 | Preparation of n-arylmethyl aziridine derivatives, 1,4,7,10-tetraazacyclododecane derivatives obtained therefrom and n-arylethyl-ethanolamine sulphonate esters as intermediates | NYCOMED SALUTAR, INC. | 2001-09-11 | — | — | US | disclosed |
| US-6048979-A | CYCLOTETRAMERIZING, CLEAVAGE OF ARYLMETHYL GROUPS TO PREPARE CYCLEN AND DERIVATIVES | NYCOMED SALUTAR, INC. (US) | 2000-04-11 | — | — | US | disclosed |
| CN-1181751-A | Prepn. of N-arylmethyl axiridine derivatives, 1, 4, 7, 10 -Tetraazacyclododecane derivatives obtained therefrom and N -arylmethyl -ethanol -amine sulphonate esters as intermediates | NYCOMED SALUTAR INC (US) | 1998-05-13 | — | — | CN | disclosed |
| EP-0813523-A2 | PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES | NYCOMED SALUTAR, INC. (US) | 1997-12-29 | — | — | EP | disclosed |
| WO-1996028420-A2 | PREPARATION OF N-ARYLMETHYL AZIRIDINE DERIVATIVES, 1,4,7,10-TETRAAZACYCLODODECANE DERIVATIVES OBTAINED THEREFROM AND N-ARYLMETHYL-ETHANOL-AMINE SULPHONATE ESTERS AS INTERMEDIATES | NYCOMED SALUTAR, INC. (US) | 1996-09-19 | — | — | WO | disclosed |
| US-4154837-A | ANTIARRHYTHMIC, ADRENERGIC BLOCKING AGENTS, ANTIANGINOUS | BOEHRINGER INGELHEIM GMBH (DE) | 1979-05-15 | — | — | US | disclosed |