Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.74 |
| ▸ | TSHR | P16473 | 1/20 | 0.58 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.58 |
| ▸ | LTA4H | P09960 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 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 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.48 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.48 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| 1,4-Diethoxybenzene SCHEMBL27616183 | 0.86 | NQO1 (0.88) | NQO1TSHRTDP1LTA4HKDM4E | |
| SCHEMBL4707838 | 0.86 | NQO1 (0.47) | NQO1TSHRTDP1LTA4HCA12 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.86 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HKDM4E | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.86 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HKDM4E | |
| 1,4-Diethoxybenzene SCHEMBL11794798 | 0.83 | NQO1 (0.93) | NQO1TSHRTDP1LTA4HKDM4E | |
| SCHEMBL9208516 | 0.81 | TP53 (0.59) | NQO1TSHRTDP1LTA4HKDM4E | |
| SCHEMBL3138590 | 0.80 | SMN1; SMN2 (0.48) | NQO1TDP1ALDH1A1SMN1; SMN2MAPT | |
| SCHEMBL5492634 | 0.80 | LTA4H (0.57) | TSHRLTA4HCA12CA1CA2 | |
| SCHEMBL58858 | 0.80 | NQO1 (0.67) | NQO1TSHRTDP1LTA4HKDM4E | |
| SCHEMBL11042247 | 0.80 | NQO1 (0.67) | NQO1TSHRTDP1LTA4HKDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5090994-A | HETEROCYCLIC COMPOUNDS AND HERBICIDAL COMPOSITIONS CONTAINING THE COMPOUNDS AS EFFECTIVE COMPONENTS | AGRO-KANESHO CO., LTD. (JP) | 1992-02-25 | — | — | US | disclosed |
| CN-1045263-A | Heterogeneous ring compound prepares their method, and contains the herbicidal composition of this compounds as effective constituent | AGRO KANESHO CO LTD (JP) | 1990-09-12 | — | — | CN | disclosed |