Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | BLM | P54132 | 1/20 | 0.38 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 1/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28879824 | 0.75 | MAPT (0.41) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| SCHEMBL17161254 | 0.73 | TAAR1 (0.52) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| SCHEMBL8217518 | 0.72 | TAAR1 (0.52) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| SCHEMBL28879948 | 0.70 | TAAR1 (0.42) | IDO1MAPTKDM4ETAAR1ALDH1A1 | |
| SCHEMBL8223783 | 0.70 | TAAR1 (0.43) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| SCHEMBL5818267 | 0.70 | ALOX15 (0.48) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| SCHEMBL28879904 | 0.70 | IDO1 (0.42) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| SCHEMBL29066277 | 0.70 | IDO1 (0.42) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| Hydrochloric Acid SCHEMBL31409223 | 0.68 | CYP3A4 (0.44) | IDO1MAPTCYP3A4CYP1A2NFKB1 | |
| SCHEMBL18244317 | 0.67 | TAAR1 (0.33) | IDO1TAAR1 |
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 |