Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 2/20 | 0.33 |
| ▸ | HTR2C | P28335 | 2/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
| ▸ | HTR3A | P46098 | 1/20 | 0.32 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.32 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.31 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.31 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21519335 | 0.82 | ABHD6 (0.43) | ABHD6HTR2AHTR2CHTR2BCHRNB2 | |
| SCHEMBL1040520 | 0.80 | CYP2C9 (0.47) | ABHD6CHRNB2CHRNA4CYP2C9HTR3E | |
| SCHEMBL24757211 | 0.76 | ABHD6 (0.35) | ABHD6GRM5HTR2AHTR2CHTR2B | |
| SCHEMBL16624105 | 0.76 | ASIC3 (0.39) | ABHD6GRM5HTR3EHTR3BHTR3A | |
| SCHEMBL18288906 | 0.76 | PNMT (0.49) | GRM5MEN1NPC1RAB9AKMT2A | |
| SCHEMBL867848 | 0.75 | ABHD6 (0.48) | ABHD6GRM5NPC1RAB9A | |
| SCHEMBL3948096 | 0.74 | ADRA2A (0.43) | GRM5NPC1RAB9AHTR2AHTR2C | |
| SCHEMBL30302490 | 0.74 | ADRA2A (0.43) | GRM5NPC1RAB9AHTR2AHTR2C | |
| SCHEMBL2301675 | 0.74 | ADRA2A (0.47) | GRM5HTR2AHTR2CADRA2AADRA2B | |
| SCHEMBL30484407 | 0.74 | ADRA2A (0.47) | GRM5HTR2AHTR2CADRA2AADRA2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3252059-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | Medshine Discovery Inc. (CN) | 2017-12-06 | — | — | EP | disclosed |
| WO-2016119706-A1 | ANTI-PULMONARY TUBERCULOSIS NITROIMIDAZOLE DERIVATIVE | 南京明德新药研发股份有限公司 | 2016-08-04 | — | — | WO | disclosed |