Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.64 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | LTA4H | P09960 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | PLK1 | P53350 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL28087742 | 0.83 | CA12 (0.52) | TSHRCA12CA1CA2CA7 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.80 | NQO1 (1.00) | NQO1TDP1TSHRPARP10CA12 | |
| SCHEMBL14296483 | 0.80 | INPPL1 (0.32) | CA12CA1CA2CA7CA9 | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.80 | NQO1 (1.00) | NQO1TDP1TSHRPARP10CA12 | |
| SCHEMBL27409192 | 0.77 | NQO1 (0.64) | NQO1TDP1TSHRPARP10CA12 | |
| SCHEMBL9580769 | 0.77 | SMN1; SMN2 (0.46) | CA2LMNANPC1KMT2AALDH1A1 | |
| SCHEMBL18038657 | 0.77 | INPPL1 (0.31) | CA12CA1CA2CA7CA9 | |
| 1,4-Diethoxybenzene SCHEMBL11794798 | 0.77 | NQO1 (0.93) | NQO1TDP1TSHRPARP10CA12 | |
| 1,4-Diethoxybenzene SCHEMBL9651064 | 0.76 | NQO1 (0.70) | NQO1TDP1TSHRPARP10CA12 | |
| SCHEMBL29091870 | 0.76 | SMN1; SMN2 (0.44) | CA2LMNANPC1KMT2AALDH1A1 |
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-1314906-A | Salts of paroxetine | SMITHKLINE BEECHAM PLC (GB) | 2001-09-26 | — | — | CN | disclosed |