Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP6 | P55212 | 1/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CYP46A1 | Q9Y6A2 | 2/20 | 0.39 |
| ▸ | ATR | Q13535 | 2/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.37 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.37 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.36 |
| ▸ | RAF1 | P04049 | 1/20 | 0.36 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.36 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.36 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.36 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28144739 | 0.82 | CASP6 (0.39) | CASP6CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL24312484 | 0.82 | DPP4 (0.46) | CASP6CYP46A1ATREGFRCYP2D6 | |
| SCHEMBL24312483 | 0.82 | CYP2D6 (0.43) | CASP6CHRNB2CHRNB4CHRNA3CHRNA4 | |
| Hydrochloric Acid SCHEMBL29473296 | 0.81 | DPP4 (0.44) | CASP6CYP46A1ATREGFRCYP2D6 | |
| SCHEMBL10601314 | 0.80 | MAPK9 (0.43) | CASP6CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL477370 | 0.79 | KDM4E (0.50) | CASP6ATRPDCD1CD274CYP1A2 | |
| SCHEMBL28172764 | 0.79 | CYP46A1 (0.43) | CASP6CYP46A1CYP2D6MAPK13RAF1 | |
| Hydrochloric Acid SCHEMBL29723641 | 0.78 | TAAR1 (0.39) | CASP6EGFR | |
| Hydrochloric Acid SCHEMBL23498194 | 0.78 | TAAR1 (0.39) | CASP6EGFR | |
| SCHEMBL28144745 | 0.78 | ALOX5AP (0.40) | CASP6CYP46A1EGFRCYP2D6MAPK13 |
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-1206265-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-08-07 | — | — | EP | claimed |
| EP-1206265-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-05-22 | — | — | EP | claimed |
| WO-2001000213-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | claimed |
| EP-1206265-A4 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO INC (US) | 2002-08-07 | — | — | EP | disclosed |
| EP-1206265-A1 | SRC KINASE INHIBITOR COMPOUNDS | Merck & Co., Inc. (US) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001000213-A1 | SRC KINASE INHIBITOR COMPOUNDS | MERCK & CO., INC. (US) | 2001-01-04 | — | — | WO | disclosed |