Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.39 |
| ▸ | PDE2A | O00408 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | LIPE | Q05469 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL27985789 | 0.84 | EPHX1 (0.46) | EPHX1ALDH1A1EPHX2PDE2AKMT2A | |
| SCHEMBL27974375 | 0.81 | EPHX2 (0.41) | EPHX1ALDH1A1EPHX2PDE2AKMT2A | |
| SCHEMBL27986128 | 0.81 | EPHX1 (0.43) | EPHX1SLC6A2SLC6A4ALDH1A1EPHX2 | |
| SCHEMBL27986114 | 0.77 | EPHX2 (0.40) | EPHX1SLC6A4ALDH1A1EPHX2LIPE | |
| SCHEMBL27986122 | 0.77 | SLC6A2 (0.44) | EPHX1SLC6A2SLC6A4ALDH1A1EPHX2 | |
| SCHEMBL16633590 | 0.75 | EPHX1 (0.41) | EPHX1SLC6A2SLC6A4ALDH1A1EPHX2 | |
| SCHEMBL19946345 | 0.74 | EPHX1 (0.42) | EPHX1SLC6A2SLC6A4ALDH1A1EPHX2 | |
| SCHEMBL27985768 | 0.72 | EPHX1 (0.44) | EPHX1ALDH1A1EPHX2HRH3 | |
| SCHEMBL27985769 | 0.72 | EPHX1 (0.44) | EPHX1SLC6A2SLC6A4ALDH1A1EPHX2 | |
| SCHEMBL18045497 | 0.72 | EPHX1 (0.43) | EPHX1ALDH1A1EPHX2PDE2AHRH3 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104245698-B | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL CO.,LTD. (JP) | 2016-11-30 | — | — | CN | disclosed |
| CN-104245698-A | Nitrogen-containing heterocyclic compound | TAKEDA PHARMACEUTICAL | 2014-12-24 | — | — | CN | disclosed |