Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 2/20 | 0.39 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL850563 | 0.75 | GAA (0.47) | CES1CES2ALDH1A1HPGDSMN1; SMN2 | |
| P-Nitrophenol SCHEMBL309332 | 0.75 | TDP1 (0.61) | TDP1CES1CES2SRD5A2ALDH1A1 | |
| P-Nitrophenol SCHEMBL14125735 | 0.75 | TDP1 (0.61) | TDP1CES1CES2SRD5A2ALDH1A1 | |
| P-Nitrophenol SCHEMBL27462973 | 0.75 | TDP1 (0.60) | TDP1CES1CES2SRD5A2ALDH1A1 | |
| P-Nitrophenol SCHEMBL17289474 | 0.73 | TDP1 (0.59) | TDP1CES1CES2SRD5A2ALDH1A1 | |
| P-Nitrophenol SCHEMBL15203620 | 0.73 | ALDH1A1 (0.64) | TDP1CES1CES2SRD5A2ALDH1A1 | |
| P-Nitrophenol SCHEMBL29806213 | 0.73 | CES1 (0.58) | TDP1CES1ALDH1A1HPGDSMN1; SMN2 | |
| P-Nitrophenol SCHEMBL11048842 | 0.73 | CES1 (0.58) | TDP1CES1ALDH1A1HPGDSMN1; SMN2 | |
| P-Nitrophenol SCHEMBL1839 | 0.73 | CES1 (0.58) | TDP1CES1ALDH1A1HPGDSMN1; SMN2 | |
| SCHEMBL1175968 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0832201-B1 | A SAMPLE PRESENTATION APPARATUS FOR MASS SPECTROMETRY | UNIV ARIZONA (US) | 2005-10-05 | — | — | EP | claimed |