Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | MMP1 | P03956 | 1/20 | 0.46 |
| ▸ | MMP3 | P08254 | 1/20 | 0.46 |
| ▸ | MMP7 | P09237 | 1/20 | 0.46 |
| ▸ | MMP13 | P45452 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | PKM | P14618 | 2/20 | 0.43 |
| ▸ | MMP2 | P08253 | 1/20 | 0.42 |
| ▸ | MMP12 | P39900 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 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 | |
|---|---|---|---|---|
| SCHEMBL2927569 | 0.89 | MMP9 (0.50) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL2928574 | 0.88 | MMP9 (0.49) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL2928560 | 0.88 | MMP9 (0.52) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL2930771 | 0.82 | ALDH1A1 (0.43) | ALDH1A1PKMTSHRTP53HTT | |
| SCHEMBL1658411 | 0.77 | MMP9 (0.45) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL2927062 | 0.76 | MMP9 (0.51) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL2928171 | 0.74 | CHRM5 (0.41) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL2927853 | 0.74 | MMP9 (0.47) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL1655569 | 0.73 | MMP9 (0.60) | MMP9MMP1MMP3MMP7MMP13 | |
| SCHEMBL5531373 | 0.73 | MMP9 (0.60) | MMP9MMP1MMP3MMP7MMP13 |
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-1768979-B1 | OCTAHYDROPYRROLO[2, 3, C]PYRIDINE DERIVATIVES AND PHARMACEUTICAL USE THEREOF | MERCK SERONO SA (CH) | 2010-09-29 | — | — | EP | claimed |