Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | SMC2 | O95347 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.33 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.33 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.33 |
| ▸ | SMC1A | Q14683 | 1/20 | 0.33 |
| ▸ | AAK1 | Q2M2I8 | 1/20 | 0.33 |
| ▸ | Q6ZSR9 | Q6ZSR9 | 1/20 | 0.33 |
| ▸ | BMP2K | Q9NSY1 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | DHODH | Q02127 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL14219656 | 0.90 | PTGS2 (0.41) | PTGS2SMC2EGFRCSNK2A2MAP2K2 | |
| SCHEMBL14223203 | 0.90 | KDM4E (0.36) | PTGS2KDM4EMAPTEGFRMAP2K2 | |
| SCHEMBL14220129 | 0.89 | MAP2K1 (0.36) | PTGS2KDM4EMAPTSMC2EGFR | |
| SCHEMBL14219728 | 0.86 | MAP2K1 (0.39) | KDM4EMAPTSMC2EGFRCSNK2A2 | |
| SCHEMBL14219719 | 0.84 | MAP2K1 (0.48) | SMC2EGFRCSNK2A2MAP2K2MAP2K1 | |
| SCHEMBL14223049 | 0.83 | MAP2K1 (0.37) | KDM4EMAPTSMC2EGFRCSNK2A2 | |
| SCHEMBL14222457 | 0.83 | DHODH (0.41) | KDM4EMAPTEGFRMAP2K1DHODH | |
| SCHEMBL14220127 | 0.81 | MAP2K1 (0.50) | SMC2EGFRCSNK2A2MAP2K2MAP2K1 | |
| SCHEMBL14219650 | 0.81 | MAP2K1 (0.50) | SMC2EGFRCSNK2A2MAP2K2MAP2K1 | |
| SCHEMBL14219845 | 0.80 | MAP2K2 (0.35) | PTGS2MAP2K2MAP2K1DHODH |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008041088-A2 | N-HYDROXY BENZAMIDES WITH ANTITUMOR ACTIVITY | EOS (ETHICAL ONCOLOGY SCIENCE) S.P.A. (IT) | 2008-04-10 | — | — | WO | disclosed |
| EP-1908751-A1 | N-hydroxy benzamides with antitumour activity | EOS S.p.A. (IT) | 2008-04-09 | — | — | EP | disclosed |