Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | PLAU | P00749 | 1/20 | 0.34 |
| ▸ | GALR3 | O60755 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2162474 | 0.79 | GABRA1 (0.42) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL2372208 | 0.79 | TSHR (0.45) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL5035207 | 0.79 | CYP19A1 (0.42) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL25620334 | 0.78 | CYP19A1 (0.41) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL28553209 | 0.76 | CYP19A1 (0.40) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL4900675 | 0.76 | CYP19A1 (0.40) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL28348597 | 0.76 | TSHR (0.42) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL7054761 | 0.76 | CYP19A1 (0.46) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL5692134 | 0.76 | CYP19A1 (0.46) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR | |
| SCHEMBL2154210 | 0.75 | SMN1; SMN2 (0.49) | CYP19A1ALDH1A1SMN1; SMN2MAPTTSHR |
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-114956933-A | Marker containing isotope oxygen atom and preparation method and application thereof | 清华大学 | 2022-08-30 | — | — | CN | disclosed |