Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.33 |
| ▸ | L3MBTL3 | Q96JM7 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6855190 | 0.74 | NCF1 (0.48) | ALDH1A1ATML3MBTL1HSD11B1HRH3 | |
| SCHEMBL23110427 | 0.73 | SMN1; SMN2 (0.44) | MEN1KMT2AALDH1A1ATML3MBTL1 | |
| SCHEMBL3594708 | 0.73 | KDM4E (0.33) | ALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL30412623 | 0.73 | GNAI3 (0.50) | ALDH1A1ATML3MBTL1HSD11B1HRH3 | |
| SCHEMBL930589 | 0.72 | — | — | |
| SCHEMBL14098703 | 0.72 | HPGD (0.37) | MEN1KMT2AALDH1A1ATMHSD11B1 | |
| SCHEMBL1936961 | 0.71 | TP53 (0.39) | ALDH1A1ATML3MBTL1L3MBTL3TP53 | |
| SCHEMBL15986798 | 0.70 | NCF1 (0.42) | ALDH1A1L3MBTL1 | |
| SCHEMBL12474153 | 0.70 | L3MBTL3 (0.36) | L3MBTL1KDM4ESIGMAR1L3MBTL3TP53 | |
| SCHEMBL15088883 | 0.69 | ALDH1A1 (0.53) | ALDH1A1L3MBTL1KDM4EL3MBTL3HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611810-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| WO-2012028331-A1 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE DERIVATIVES | Grünenthal GmbH (DE) | 2012-03-08 | — | — | WO | disclosed |