Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.38 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.35 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.35 |
| ▸ | SLC1A5 | Q15758 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL18323989 | 0.85 | GAA (0.43) | KMT2AGAAMAOBHPGDALDH1A1 | |
| SCHEMBL4193735 | 0.80 | KDM4E (0.40) | KMT2AGAAHPGDALDH1A1KDM4E | |
| SCHEMBL2207696 | 0.80 | TAAR1 (0.39) | TAAR1KMT2AHPGDALDH1A1KDM4E | |
| SCHEMBL12433152 | 0.80 | PARP10 (0.41) | TAAR1KMT2AALDH1A1KDM4ECA2 | |
| SCHEMBL776587 | 0.80 | TAAR1 (0.46) | TAAR1KMT2AGAAMAOBHPGD | |
| SCHEMBL1196144 | 0.78 | KMT2A (0.46) | KMT2ARAB9A | |
| SCHEMBL19403479 | 0.77 | MAOB (0.38) | KMT2AGAAMAOBHPGDALDH1A1 | |
| SCHEMBL20875153 | 0.77 | MAOB (0.38) | KMT2AGAAMAOBHPGDALDH1A1 | |
| SCHEMBL2416330 | 0.77 | KDM4E (0.54) | MAOBALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL29131294 | 0.75 | CES2 (0.43) | KMT2ATAS2R14MEN1SMN1; SMN2MAPT |
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-1737815-B1 | THIO-SUBSTITUTED BIARYL-METHANESULFINYL DERIVATIVES | CEPHALON INC (US) | 2016-12-21 | — | — | EP | disclosed |