Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.42 |
| ▸ | KIF11 | P52732 | 7/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.36 |
| ▸ | MMP1 | P03956 | 1/20 | 0.35 |
| ▸ | MMP2 | P08253 | 1/20 | 0.35 |
| ▸ | MMP3 | P08254 | 1/20 | 0.35 |
| ▸ | MMP7 | P09237 | 1/20 | 0.35 |
| ▸ | MMP9 | P14780 | 1/20 | 0.35 |
| ▸ | MMP13 | P45452 | 1/20 | 0.35 |
| ▸ | TRPV3 | Q8NET8 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7922652 | 0.79 | PTGS1 (0.40) | PTGS2PTGS1MMP1MMP2MMP3 | |
| SCHEMBL8176841 | 0.73 | CA1 (0.49) | KIF11MMP2ALDH1A1HTT | |
| SCHEMBL7925767 | 0.73 | PTGS2 (0.42) | PTGS2KIF11PTGS1HTT | |
| SCHEMBL7013832 | 0.69 | PLK1 (0.47) | KIF11MMP1MMP2MMP3MMP7 | |
| SCHEMBL7920523 | 0.67 | PTGS2 (0.42) | PTGS2KIF11PTGS1HTR2AHTR2C | |
| SCHEMBL27498663 | 0.66 | HTR2A (0.46) | ALDH1A1HTR2AHTR2CHTR2BHTT | |
| SCHEMBL29088198 | 0.62 | PTGS2 (0.47) | PTGS2KIF11PTGS1ALDH1A1 | |
| SCHEMBL24277982 | 0.62 | PDE2A (0.42) | KIF11ALDH1A1 | |
| SCHEMBL12859562 | 0.61 | CA1 (0.47) | KIF11MMP2TRPV3ALDH1A1HTT | |
| SCHEMBL24468428 | 0.61 | KIF11 (0.55) | KIF11ALDH1A1 |
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-1135365-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2001-09-26 | — | — | EP | disclosed |
| WO-2000034230-A1 | 4-3-SUBSTITUTED-AMINO-CYCLOBUT-3-ENE-1,2-DIONES AND USE FOR INFLUENCING SMOOTH MUSCLE CONTRACTION | AMERICAN HOME PRODUCTS CORPORATION (US) | 2000-06-15 | — | — | WO | disclosed |