Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTBP2 | P56545 | 1/20 | 0.54 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.50 |
| ▸ | DRD2 | P14416 | 1/20 | 0.47 |
| ▸ | DRD1 | P21728 | 1/20 | 0.47 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | BLM | P54132 | 1/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL979023 | 0.85 | HSP90AB1 (0.67) | CTBP2ENPP2ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL30435086 | 0.85 | HSP90AB1 (0.67) | CTBP2ENPP2ALDH1A1MAPK1CYP3A4 | |
| SCHEMBL56760 | 0.82 | ALDH1A1 (0.73) | CTBP2ENPP2ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL905142 | 0.82 | CTBP2 (0.49) | CTBP2ENPP2ALDH1A1MAPK1L3MBTL1 | |
| SCHEMBL22981807 | 0.81 | CTBP2 (0.59) | CTBP2ENPP2DRD2DRD1TAAR1 | |
| SCHEMBL30427127 | 0.81 | CTBP2 (0.59) | CTBP2ENPP2DRD2DRD1TAAR1 | |
| SCHEMBL21114392 | 0.81 | DRD2 (0.53) | ENPP2DRD2DRD1TAAR1TYR | |
| SCHEMBL16273908 | 0.80 | TSHR (0.67) | CTBP2ENPP2DRD2DRD1TAAR1 | |
| SCHEMBL10918989 | 0.80 | CTBP2 (0.47) | CTBP2ENPP2DRD2DRD1TAAR1 | |
| 3-Hydroxyphenylacetate SCHEMBL21114397 | 0.79 | CTBP2 (0.62) | CTBP2ENPP2DRD2DRD1TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20190214145-A1 | Method and systems for creating and screening patient metabolite profile to diagnose current medical condition, diagnose current treatment state and recommend new treatment regimen | KUREK ITZHAK (US) | 2019-07-11 | — | — | US | disclosed |