Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.45 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 2/20 | 0.41 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.39 |
| ▸ | IMPDH1 | P20839 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GALR3 | O60755 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 2/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 2/20 | 0.35 |
| ▸ | CA3 | P07451 | 1/20 | 0.35 |
| ▸ | CA6 | P23280 | 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 | |
|---|---|---|---|---|
| SCHEMBL4921058 | 0.76 | ALDH1A1 (0.45) | CYP2A6ALDH1A1CYP11B2KIF11MMP3 | |
| SCHEMBL5361548 | 0.74 | KDM4E (0.44) | CYP2A6ALDH1A1CYP11B2KIF11MMP3 | |
| SCHEMBL6469620 | 0.74 | CYP11B2 (0.42) | CYP2A6ALDH1A1CYP11B2KIF11MMP3 | |
| SCHEMBL10698231 | 0.74 | PTGS2 (0.54) | PTGS2 | |
| SCHEMBL6973118 | 0.74 | PTGS2 (0.39) | PTGS2 | |
| SCHEMBL4919967 | 0.70 | CYP2A6 (0.47) | CYP2A6ALDH1A1CYP11B2KIF11MMP3 | |
| SCHEMBL12728673 | 0.70 | — | — | |
| SCHEMBL24451136 | 0.69 | ALDH1A1 (0.50) | CYP2A6ALDH1A1CYP11B2KIF11MMP3 | |
| SCHEMBL27892713 | 0.69 | MAPK14 (0.52) | IMPDH2PTGS1KDM4EHPGD | |
| SCHEMBL8210361 | 0.69 | KDM4E (0.75) | ALDH1A1CYP11B2GAAPTGS1KDM4E |
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-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |
| WO-2007145349-A2 | SUBSTITUTED PYRROLE DERIVATIVES | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-12-21 | — | — | WO | disclosed |