Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IMPDH2 | P12268 | 1/20 | 0.36 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | PKN1 | Q16512 | 1/20 | 0.35 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.35 |
| ▸ | DRD2 | P14416 | 2/20 | 0.34 |
| ▸ | DRD3 | P35462 | 2/20 | 0.34 |
| ▸ | PNMT | P11086 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.33 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.33 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.33 |
| ▸ | CHRNG | P07510 | 1/20 | 0.33 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27884864 | 0.86 | TRPA1 (0.35) | IMPDH2IMPDH1TRPA1PKN1PKN2 | |
| SCHEMBL20671715 | 0.73 | HTR5A (0.34) | DRD2 | |
| SCHEMBL30509173 | 0.73 | HTR5A (0.35) | — | |
| SCHEMBL9382768 | 0.73 | DRD4 (0.40) | DRD2DRD3 | |
| SCHEMBL7038650 | 0.69 | TRPA1 (0.44) | IMPDH2IMPDH1TRPA1DRD2DRD3 | |
| SCHEMBL30164311 | 0.69 | PDE3B (0.41) | MAOBSNCACLK4 | |
| SCHEMBL29419088 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL123760 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL30529587 | 0.67 | KDM4E (0.45) | IMPDH2IMPDH1DRD2DRD3PNMT | |
| SCHEMBL21383855 | 0.67 | KDM4E (0.45) | IMPDH2IMPDH1DRD2DRD3PNMT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109121397-A | Heterocyclic compound, especially 2- oxo -4,4,5,5,6,6,7,7- octahydro benzoxazoles derivatives and their purposes as antimicrobial compound | 莱德克斯制药公共有限公司 | 2019-01-01 | — | — | CN | disclosed |
| CN-102361863-B | Novel bicyclic antibiotics | BASILEA PHARMACEUTICA AG | 2014-12-03 | — | — | CN | disclosed |
| CN-101243068-B | Compounds for the treatment of multi-drug resistant bacterial infections | ASTRAZENECA AB | 2012-08-08 | — | — | CN | disclosed |
| CN-102361863-A | Novel bicyclic antibiotics | BASILEA PHARMACEUTICA AG | 2012-02-22 | — | — | CN | disclosed |
| CN-101243068-A | Compounds for the treatment of multi-drug resistant bacterial infections | ASTRAZENECA AB (SE) | 2008-08-13 | — | — | CN | disclosed |