Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | CA4 | P22748 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | MC4R | P32245 | 1/20 | 0.50 |
| ▸ | MC5R | P33032 | 1/20 | 0.50 |
| ▸ | MC3R | P41968 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 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 | |
|---|---|---|---|---|
| SCHEMBL9183347 | 0.87 | GAA (0.58) | GAACA12CA1CA2CA4 | |
| SCHEMBL9185631 | 0.85 | CHRM2 (0.63) | GAACA12CA1CA2CA4 | |
| SCHEMBL12085525 | 0.84 | MC4R (0.63) | CA12CA2CA4CA9MC4R | |
| SCHEMBL9362652 | 0.84 | CHRM2 (0.61) | GAACA12CA1CA2CA4 | |
| SCHEMBL10875163 | 0.79 | MC4R (0.54) | MC4RMC5RMC3RCYP1A2CYP2C19 | |
| SCHEMBL11638 | 0.79 | CHRM2 (0.71) | CA12CA1CA2CA9MC4R | |
| SCHEMBL11922724 | 0.79 | GAA (0.58) | GAACA12CA1CA2CA4 | |
| SCHEMBL12085625 | 0.79 | MAOA (0.59) | CA12CA1CA2CA4CA9 | |
| SCHEMBL12082968 | 0.79 | MC4R (0.58) | CA12CA2CA4CA9MC4R | |
| SCHEMBL19456501 | 0.79 | MAOA (0.59) | CA12CA1CA2CA4CA9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019013789-A1 | ANTIMICROBIAL COMPOUNDS | CURZA GLOBAL, LLC (US) | 2019-01-17 | — | — | WO | disclosed |
| EP-0199974-A2 | Nitromethylene-tetrahydropyrimidine | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1986-11-05 | — | — | EP | disclosed |