Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP12 | P39900 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | ALKBH1 | Q13686 | 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 | |
|---|---|---|---|---|
| SCHEMBL2352765 | 0.83 | MMP1 (0.44) | MMP1MMP2MMP9MMP12ALOX15 | |
| SCHEMBL2089468 | 0.77 | MAPK1 (0.42) | MMP1MMP2MMP9MMP12ALDH1A1 | |
| SCHEMBL2777684 | 0.77 | MMP1 (0.42) | MMP1MMP2MMP9MMP12ALDH1A1 | |
| SCHEMBL22917350 | 0.77 | MMP1 (0.53) | MMP1MMP2MMP9MMP12ALDH1A1 | |
| SCHEMBL4826292 | 0.74 | MMP1 (0.36) | MMP1MMP2MMP9MMP12ALDH1A1 | |
| SCHEMBL3949072 | 0.74 | MAPT (0.45) | ALDH1A1ALOX15KDM4ECES2CES1 | |
| SCHEMBL5042412 | 0.74 | KDM4E (0.39) | MMP1MMP2MMP9MMP12ALOX15 | |
| SCHEMBL9722723 | 0.73 | KMT2A (0.44) | ALDH1A1ALOX15CES2CES1KMT2A | |
| SCHEMBL11555946 | 0.72 | ALDH1A1 (0.41) | ALDH1A1ALOX15KDM4ETP53SMN1; SMN2 | |
| SCHEMBL5282539 | 0.72 | IDO1 (0.45) | MMP1MMP2MMP9MMP12 |
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-6455538-B1 | SODIUM CHANNEL MODULATORS; BRAIN AND NERVOUS SYSTEM DISORDERS | BOEHRINGER INGELHEIM PHARMA KG (DE) | 2002-09-24 | — | — | US | disclosed |