Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.47 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | TBXAS1 | P24557 | 5/20 | 0.46 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.42 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.40 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1605604 | 0.83 | TBXAS1 (0.48) | CYP11B2CYP11B1MAOATBXAS1PTGES2 | |
| SCHEMBL1604634 | 0.83 | DRD2 (0.51) | CYP11B2CYP11B1MAOATBXAS1PTGES2 | |
| SCHEMBL1606366 | 0.80 | CYP11B2 (0.63) | CYP11B2TBXAS1SMN1; SMN2KMT2AKDM4E | |
| SCHEMBL1604870 | 0.75 | PTGES2 (0.46) | CYP11B2CYP11B1MAOATBXAS1PTGES2 | |
| SCHEMBL1606572 | 0.75 | PTGES2 (0.52) | TBXAS1PTGES2 | |
| SCHEMBL27810029 | 0.75 | TBXAS1 (0.53) | CYP11B2CYP11B1MAOATBXAS1PTGES2 | |
| SCHEMBL1606190 | 0.75 | DRD2 (0.51) | CYP11B2CYP11B1TBXAS1PTGES2SMN1; SMN2 | |
| SCHEMBL1604760 | 0.75 | CCR2 (0.51) | TBXAS1PTGES2L3MBTL1TACR1 | |
| Hydrochloric Acid SCHEMBL11006604 | 0.74 | PTGES2 (0.51) | TBXAS1PTGES2 | |
| SCHEMBL28107204 | 0.74 | CYP11B2 (0.59) | CYP11B2CYP11B1TBXAS1PTGES2SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104193725-B | Organic compound | 诺华股份有限公司 | 2016-11-16 | — | — | CN | disclosed |