Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP9 | P14780 | 2/20 | 0.52 |
| ▸ | MMP2 | P08253 | 1/20 | 0.52 |
| ▸ | MMP12 | P39900 | 1/20 | 0.52 |
| ▸ | MMP1 | P03956 | 1/20 | 0.48 |
| ▸ | MMP3 | P08254 | 1/20 | 0.48 |
| ▸ | MMP7 | P09237 | 1/20 | 0.48 |
| ▸ | MMP13 | P45452 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | PKLR | P30613 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2927761 | 0.89 | MMP9 (0.53) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL2927673 | 0.87 | MMP9 (0.54) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL5531373 | 0.86 | MMP9 (0.60) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL1655569 | 0.86 | MMP9 (0.60) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL2926940 | 0.85 | MMP9 (0.56) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL1656118 | 0.81 | MMP9 (0.72) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL2922730 | 0.80 | MMP2 (0.45) | MMP9MMP2MMP12PKMTSHR | |
| SCHEMBL1655814 | 0.80 | MMP9 (0.56) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL5546935 | 0.78 | MMP9 (0.61) | MMP9MMP2MMP12MMP1MMP3 | |
| SCHEMBL2925250 | 0.78 | MMP9 (0.61) | MMP9MMP2MMP12MMP1MMP3 |
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 |