Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | PHGDH | O43175 | 1/20 | 0.34 |
| ▸ | MGLL | Q99685 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 3/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL22072994 | 0.98 | KDM4E (0.35) | KDM4ETDP1SLC18A3CYP3A4CYP2D6 | |
| SCHEMBL22073002 | 0.93 | KDM4E (0.32) | KDM4ETDP1SLC18A3 | |
| SCHEMBL15323355 | 0.88 | — | — | |
| SCHEMBL8901941 | 0.86 | — | — | |
| SCHEMBL30909113 | 0.84 | L3MBTL3 (0.36) | KDM4ETDP1SLC18A3CYP3A4CYP2D6 | |
| SCHEMBL6620592 | 0.83 | CYP3A4 (0.42) | SLC18A3CYP3A4CYP2D6CYP2C19PHGDH | |
| SCHEMBL2006246 | 0.79 | SLC18A3 (0.38) | KDM4ETDP1SLC18A3PHGDHMGLL | |
| SCHEMBL738220 | 0.79 | SLC18A3 (0.38) | KDM4ETDP1SLC18A3PHGDHMGLL | |
| SCHEMBL2974735 | 0.78 | KMT2A (0.33) | TDP1MEN1KMT2AALDH1A1 | |
| SCHEMBL29270116 | 0.77 | HTR6 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020117942-A1 | CHOLINE METABOLISM INHIBITORS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2020-06-11 | — | — | WO | disclosed |