Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.63 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.63 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.63 |
| ▸ | MAPT | P10636 | 5/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | RBP4 | P02753 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL1266997 | 0.93 | ALDH1A1 (0.72) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1267485 | 0.88 | MAPT (0.55) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1266883 | 0.78 | ALDH1A1 (1.00) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1265994 | 0.77 | MEN1 (0.55) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1267472 | 0.73 | ALDH1A1 (0.52) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1267017 | 0.72 | ALDH1A1 (0.53) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1267125 | 0.71 | ALDH1A1 (0.72) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1267491 | 0.71 | TSHR (0.43) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1266359 | 0.71 | ALDH1A1 (0.50) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A | |
| SCHEMBL1266133 | 0.69 | ALDH1A1 (0.70) | ALDH1A1KDM4EL3MBTL1MAPTKMT2A |
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-2144913-A2 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AS MONOAMINE REUPTAKE INHIBITORS AND USE THEREOF AS MEDICAMENTS | Grünenthal GmbH (DE) | 2010-01-20 | — | — | EP | disclosed |
| WO-2008046581-A2 | SUBSTITUTED TETRAHYDROPYRROLOPYRAZINE COMPOUNDS AND USE THEREOF IN MEDICAMENTS | Grünenthal GmbH (DE) | 2008-04-24 | — | — | WO | disclosed |