Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | RORC | P51449 | 10/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 7/20 | 0.43 |
| ▸ | MMP2 | P08253 | 3/20 | 0.40 |
| ▸ | MMP3 | P08254 | 3/20 | 0.40 |
| ▸ | MMP9 | P14780 | 3/20 | 0.40 |
| ▸ | MMP8 | P22894 | 3/20 | 0.40 |
| ▸ | MMP13 | P45452 | 3/20 | 0.40 |
| ▸ | MMP14 | P50281 | 2/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL14227518 | 0.80 | RORC (0.47) | PTGS2ALDH1A1PTGS1KIF11RORC | |
| SCHEMBL14242993 | 0.80 | PTGS2 (0.44) | PTGS2ALDH1A1PTGS1KIF11RORC | |
| SCHEMBL14544487 | 0.78 | SMN1; SMN2 (0.63) | PTGS2ALDH1A1PTGS1CA1CA2 | |
| SCHEMBL17689397 | 0.77 | EEF2K (0.60) | PTGS2ALDH1A1PTGS1CA1CA2 | |
| SCHEMBL1464260 | 0.76 | MMP2 (0.49) | PTGS2PTGS1KIF11RORCMMP2 | |
| SCHEMBL2760213 | 0.73 | EEF2K (0.60) | PTGS2ALDH1A1PTGS1CA1CA2 | |
| SCHEMBL31352972 | 0.71 | KIF11 (0.46) | PTGS2ALDH1A1PTGS1KIF11RORC | |
| SCHEMBL1463722 | 0.71 | CYP3A4 (0.52) | PTGS2ALDH1A1PTGS1RORCMMP2 | |
| SCHEMBL1464281 | 0.71 | MMP2 (0.51) | PTGS2PTGS1KIF11MMP2MMP3 | |
| SCHEMBL19558567 | 0.70 | SMN1; SMN2 (0.62) | PTGS2ALDH1A1PTGS1MMP2MMP9 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9315454-B2 | Compounds which modulate the CB2 receptor | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2016-04-19 | — | — | US | disclosed |