Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL17161254 | 0.82 | TAAR1 (0.52) | MAPTALDH1A1GAATAAR1IDO1 | |
| SCHEMBL28879973 | 0.75 | IDO1 (0.42) | MAPTALDH1A1GAATAAR1IDO1 | |
| SCHEMBL4902607 | 0.75 | TAAR1 (0.48) | TAAR1IDO1KDM4E | |
| SCHEMBL283558 | 0.72 | TAAR1 (0.39) | TAAR1IDO1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11741449 | 0.70 | APOBEC3G (0.39) | MAPTTAAR1IDO1CYP1A2KDM4E | |
| SCHEMBL13019656 | 0.70 | GABRA1 (0.48) | ALDH1A1TAAR1IDO1CYP1A2LMNA | |
| SCHEMBL28446795 | 0.70 | IDO1 (0.41) | TAAR1IDO1 | |
| SCHEMBL26586444 | 0.70 | TAAR1 (0.38) | TAAR1IDO1 | |
| SCHEMBL839768 | 0.70 | TAAR1 (0.38) | TAAR1IDO1 | |
| SCHEMBL17161231 | 0.70 | TTR (0.32) | — |
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 |