Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 8/20 | 0.43 |
| ▸ | MMP13 | P45452 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | CTSD | P07339 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.37 |
| ▸ | MMP1 | P03956 | 1/20 | 0.37 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.36 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL9458371 | 0.87 | ALOX5 (0.45) | ALOX5MMP13MMP2MMP3MMP9 | |
| SCHEMBL9458568 | 0.79 | ALOX5 (0.48) | ALOX5MMP13MMP1 | |
| SCHEMBL9458556 | 0.75 | ALOX5 (0.37) | ALOX5S1PR2 | |
| SCHEMBL18210658 | 0.72 | CYP3A4 (0.50) | MMP2MMP3MMP9MMP14SLC6A2 | |
| SCHEMBL9458313 | 0.71 | OPRL1 (0.43) | ALOX5MMP13MMP2MMP3MMP9 | |
| SCHEMBL31070675 | 0.71 | EPAS1 (0.46) | P2RY1CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7479848 | 0.71 | HDAC3 (0.43) | ALOX5SLC6A2SLC6A3 | |
| SCHEMBL9458222 | 0.71 | ALOX5 (0.36) | ALOX5MMP13CTSDBACE1MMP1 | |
| SCHEMBL8551875 | 0.70 | ALOX5 (0.59) | ALOX5PTGS1PTGS2 | |
| SCHEMBL18118971 | 0.69 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19 |
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-5208259-A | Lipoxygenase enzyme inhibitors | IMPERIAL CHEMICAL INDUSTRIES (GB) | 1993-05-04 | — | — | US | disclosed |