Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.53 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.53 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | PSMB5 | P28074 | 2/20 | 0.48 |
| ▸ | PSMB8 | P28062 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.45 |
| ▸ | UBE2N | P61088 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.41 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3371227 | 0.91 | ESR1 (0.62) | ESR1ESR2EPHX1PSMB5PSMB8 | |
| SCHEMBL5272849 | 0.84 | EPHX1 (0.67) | ESR1ESR2EPHX1CHRM1UBE2N | |
| SCHEMBL5145520 | 0.81 | ESR1 (0.50) | ESR1ESR2EPHX1PSMB5PSMB8 | |
| SCHEMBL9467959 | 0.80 | CHRM1 (0.53) | ESR1ESR2EPHX1CHRM1UBE2N | |
| SCHEMBL22394826 | 0.80 | SMN1; SMN2 (0.56) | EPHX1PSMB5MEN1KMT2ACHRM1 | |
| SCHEMBL27871545 | 0.80 | MEN1 (0.59) | ESR1ESR2EPHX1PSMB5MEN1 | |
| Toluene SCHEMBL9293975 | 0.79 | L3MBTL1 (0.58) | PSMB5PSMB8MEN1KMT2ACNR1 | |
| Toluene SCHEMBL2053140 | 0.79 | L3MBTL1 (0.58) | PSMB5PSMB8MEN1KMT2ACNR1 | |
| Toluene SCHEMBL249049 | 0.79 | L3MBTL1 (0.58) | PSMB5PSMB8MEN1KMT2ACNR1 | |
| Toluene SCHEMBL3869236 | 0.79 | L3MBTL1 (0.58) | PSMB5PSMB8MEN1KMT2ACNR1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1663113-A4 | SUBSTITUTED SULFONAMIDES | MERCK & CO INC (US) | 2007-06-13 | — | — | EP | disclosed |
| EP-1494997-A4 | SUBSTITUTED ARYL AMIDES | MERCK & CO INC (US) | 2007-04-11 | — | — | EP | disclosed |
| EP-1663113-A2 | SUBSTITUTED SULFONAMIDES | Merck & Co., Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005027837-A2 | SUBSTITUTED SULFONAMIDES | MERCK & CO., INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1494997-A1 | SUBSTITUTED ARYL AMIDES | Merck & Co., Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| WO-2003087037-A1 | SUBSTITUTED ARYL AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |