Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 5/20 | 0.59 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.49 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM1A | O60341 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | F10 | P00742 | 1/20 | 0.47 |
| ▸ | FNTA | P49354 | 1/20 | 0.46 |
| ▸ | FNTB | P49356 | 1/20 | 0.46 |
| ▸ | PGGT1B | P53609 | 1/20 | 0.46 |
| ▸ | MEP1B | Q16820 | 4/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.44 |
| ▸ | VNN1 | O95497 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | AURKA | O14965 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL6564611 | 0.98 | CA2 (0.58) | CA2OPRM1OPRK1GAAKMT2A | |
| SCHEMBL6566661 | 0.84 | LOXL2 (0.59) | CA2GAAKMT2AHSD17B10 | |
| SCHEMBL14558488 | 0.81 | MEP1B (0.54) | KDM1AMAOAMAOBF10MEP1B | |
| SCHEMBL18232484 | 0.81 | OPRM1 (0.56) | CA2OPRM1OPRK1KMT2AHDAC1 | |
| SCHEMBL15859356 | 0.80 | CA2 (0.49) | CA2OPRM1OPRK1KMT2A | |
| SCHEMBL2570385 | 0.79 | NOS1 (0.54) | KDM1AMAOAMAOBF10MEP1B | |
| SCHEMBL6844044 | 0.79 | FOLH1 (0.55) | F10MEP1BPARP1 | |
| SCHEMBL19091172 | 0.78 | MEP1B (0.53) | CA2KDM1AMAOAMAOBF10 | |
| SCHEMBL4045031 | 0.77 | KDM1A (0.46) | CA2KMT2AKDM1AMAOAMAOB | |
| SCHEMBL4165717 | 0.77 | CHEK1 (0.50) | CA2OPRM1OPRK1KMT2AKDM1A |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3156410-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-04-19 | — | — | EP | disclosed |