Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NQO1 | P15559 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
| ▸ | ACACB | O00763 | 9/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.41 |
| ▸ | ACACA | Q13085 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6708195 | 0.81 | NQO1 (0.56) | NQO1TSHRTDP1ACACBPARP10 | |
| SCHEMBL910341 | 0.79 | NQO1 (0.54) | NQO1TSHRTDP1ACACBPARP10 | |
| SCHEMBL6652449 | 0.78 | NQO1 (0.64) | NQO1TSHRTDP1ACACBPARP10 | |
| SCHEMBL7340989 | 0.74 | ACACB (0.47) | NQO1TSHRTDP1ACACBPARP10 | |
| SCHEMBL2490798 | 0.73 | NQO1 (0.70) | NQO1TSHRTDP1ACACBPARP10 | |
| 1,4-Diethoxybenzene SCHEMBL9651064 | 0.73 | NQO1 (0.70) | NQO1TSHRTDP1PARP10RELA | |
| SCHEMBL824979 | 0.73 | NQO1 (0.70) | NQO1TSHRTDP1ACACBPARP10 | |
| SCHEMBL8036452 | 0.72 | NQO1 (0.61) | NQO1TSHRTDP1ACACBPARP10 | |
| 1,4-Diethoxybenzene SCHEMBL124015 | 0.72 | NQO1 (1.00) | NQO1TSHRTDP1PARP10RELA | |
| 1,4-Diethoxybenzene SCHEMBL28186701 | 0.72 | NQO1 (1.00) | NQO1TSHRTDP1PARP10RELA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0565351-B1 | Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters | LILLY CO ELI (US) | 2000-08-23 | — | — | EP | disclosed |
| EP-0565351-A2 | Process for preparing 7-substituted-amino-3-hydroxy-3-cephem-4-protected carboxy-sulfoxide esters | ELI LILLY AND COMPANY (US) | 1993-10-13 | — | — | EP | disclosed |