Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 2/20 | 0.46 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP3 | P08254 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.40 |
| ▸ | FAAH | O00519 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | PAOX | Q6QHF9 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PLA2G2A | P14555 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL6858080 | 0.91 | MMP1 (0.52) | MMP1MMP2MMP3MMP9EPHX1 | |
| SCHEMBL3060269 | 0.85 | MMP1 (0.48) | MMP1MMP2MMP3MMP9EPHX1 | |
| SCHEMBL15202789 | 0.83 | MEN1 (0.52) | EPHX1PAOXKDM4EKMT2APLA2G2A | |
| SCHEMBL6850994 | 0.81 | NPC1 (0.47) | MMP1MMP2MMP3MMP9EPHX1 | |
| Dimethylamine SCHEMBL9572414 | 0.80 | MMP1 (0.36) | MMP1MMP2MMP3MMP9EPHX1 | |
| SCHEMBL9866601 | 0.79 | CTSD (0.48) | MMP1MMP2MMP3MMP9EPHX1 | |
| SCHEMBL583601 | 0.78 | — | — | |
| SCHEMBL6583643 | 0.78 | — | — | |
| SCHEMBL358575 | 0.78 | — | — | |
| SCHEMBL3414867 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1268471-B1 | N-HETEROCYCLIC DERIVATIVES AS NOS INHIBITORS | SCHERING AG (DE) | 2003-10-15 | — | — | EP | disclosed |