Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO2 | P16083 | 1/20 | 0.58 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.55 |
| ▸ | HTR1B | P28222 | 1/20 | 0.54 |
| ▸ | HTR2A | P28223 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.44 |
| ▸ | CA1 | P00915 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CA9 | Q16790 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL8794788 | 0.88 | HPGD (0.64) | NQO2HPGDMTNR1ACYP1A2CYP2C19 | |
| SCHEMBL66918 | 0.82 | CYP1A2 (0.55) | NQO2MTNR1ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL4802023 | 0.82 | SIGMAR1 (0.54) | NQO2HPGDMTNR1ASIGMAR1CA12 | |
| SCHEMBL606293 | 0.81 | MTNR1A (0.63) | NQO2HPGDMTNR1AHTR1BHTR2A | |
| SCHEMBL3626833 | 0.81 | MC5R (0.57) | HPGDHTR1BCYP1A2CYP2C19CYP2D6 | |
| SCHEMBL9014734 | 0.80 | CYP1A2 (0.53) | NQO2MTNR1ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL10624208 | 0.80 | CYP1A2 (0.53) | NQO2MTNR1ACYP1A2CYP2C19CYP2D6 | |
| Phosphine SCHEMBL28240997 | 0.80 | CYP1A2 (0.53) | NQO2MTNR1ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL10624219 | 0.80 | CYP1A2 (0.53) | NQO2MTNR1ACYP1A2CYP2C19CYP2D6 | |
| SCHEMBL28302188 | 0.80 | CYP1A2 (0.53) | NQO2MTNR1ACYP1A2CYP2C19CYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012127385-A1 | BENZO [B] [1, 4] OXAZIN DERIVATIVES AS CALCIUM SENSING RECEPTOR MODULATORS | LUPIN LIMITED (IN) | 2012-09-27 | — | — | WO | disclosed |
| US-5616614-A | USEFUL IN TREATMENT OF DISORDERS LINKED TO ABNORMAL MELATONIN ACTIVITY | ADIR ET COMPAGNIE (FR) | 1997-04-01 | — | — | US | disclosed |
| US-5420158-A | Melatonin activity | ADIR ET COMPAGNIE (FR) | 1995-05-30 | — | — | US | disclosed |