Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.67 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | LTA4H | P09960 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.45 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.45 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL10951255 | 0.83 | NQO1 (0.70) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL945559 | 0.83 | NQO1 (0.70) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL27616183 | 0.82 | NQO1 (0.88) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.82 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.82 | NQO1 (1.00) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL24196870 | 0.81 | NQO1 (0.67) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL6972139 | 0.81 | NQO1 (0.67) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL11122915 | 0.79 | NQO1 (0.64) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL18883698 | 0.79 | NQO1 (0.64) | NQO1TSHRTDP1LTA4HALDH1A1 | |
| SCHEMBL11257549 | 0.79 | NQO1 (0.64) | NQO1TSHRTDP1LTA4HALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4165316-A | Process for preparing sulfinyl chlorides from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4165315-A | CHLORINATION WITH AN N-CHLORO HALOGENATING AGENT | ELI LILLY AND COMPANY (US) | 1979-08-21 | — | — | US | disclosed |
| US-4081440-A | Sulfinyl halides and their preparation from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1978-03-28 | — | — | US | disclosed |
| US-4075203-A | Process for preparing a 3-exomethylenecepham sulfoxide from penicillin sulfoxides | ELI LILLY AND COMPANY (US) | 1978-02-21 | — | — | US | disclosed |