Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTBP2 | P56545 | 1/20 | 0.62 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.56 |
| ▸ | CAMK2A | Q9UQM7 | 1/20 | 0.56 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.55 |
| ▸ | RGS12 | O14924 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.55 |
| ▸ | POLB | P06746 | 1/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | APEX1 | P27695 | 1/20 | 0.55 |
| ▸ | THPO | P40225 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | GNAI1 | P63096 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.55 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| 3-Hydroxyphenylacetate SCHEMBL337470 | 1.00 | CTBP2 (0.62) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| 3-Hydroxyphenylacetate SCHEMBL30024342 | 1.00 | CTBP2 (0.62) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| 3-Hydroxyphenylacetate SCHEMBL30690861 | 1.00 | CTBP2 (0.62) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| 3-Hydroxyphenylacetate SCHEMBL8785135 | 0.98 | CTBP2 (0.61) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| Resorcinol SCHEMBL8656888 | 0.94 | AKR1B1 (0.58) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| Phenylacetic Acid SCHEMBL8862354 | 0.89 | AKR1B1 (0.71) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| 3-Hydroxyphenylacetate SCHEMBL28209149 | 0.89 | AKR1B1 (0.53) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| SCHEMBL3914326 | 0.88 | GRIA2 (0.59) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| SCHEMBL31225628 | 0.88 | GRIA2 (0.59) | CTBP2AKR1B1CA2CAMK2ANFKB1 | |
| Resorcinol SCHEMBL8653289 | 0.87 | CA2 (0.68) | CTBP2AKR1B1CA2CAMK2ANFKB1 |
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 |