Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 2/20 | 0.33 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | HTR2C | P28335 | 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 | |
|---|---|---|---|---|
| SCHEMBL15428189 | 0.76 | TDP1 (0.44) | GAATDP1L3MBTL1ERN1CYP1A2 | |
| SCHEMBL30134862 | 0.71 | TDP1 (0.47) | TDP1L3MBTL1ERN1MAPTPOLB | |
| SCHEMBL15428211 | 0.71 | TDP1 (0.47) | TDP1L3MBTL1ERN1MAPTPOLB | |
| SCHEMBL15467482 | 0.70 | ERN1 (0.43) | TDP1L3MBTL1ERN1CYP1A2MAPT | |
| SCHEMBL7193571 | 0.69 | CA1 (0.47) | GAATDP1ERN1CYP1A2MAPT | |
| SCHEMBL15427811 | 0.69 | ERN1 (0.42) | TDP1ERN1CYP1A2MAPTCYP2C9 | |
| SCHEMBL30439279 | 0.69 | CA1 (0.47) | GAATDP1ERN1CYP1A2MAPT | |
| SCHEMBL1253157 | 0.66 | GAA (0.49) | GAATDP1L3MBTL1ERN1CYP1A2 | |
| SCHEMBL12426752 | 0.66 | NCEH1 (0.45) | GAATDP1L3MBTL1ERN1CYP1A2 | |
| Acetic Acid SCHEMBL11404458 | 0.65 | CYP1A2 (0.46) | GAAERN1CYP1A2MAPTCYP2C19 |
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-9837622-B2 | Metal complexes | MERCK PATENT GMBH (DE) | 2017-12-05 | — | — | US | disclosed |