Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.36 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | NPY5R | Q15761 | 5/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.32 |
| ▸ | GRM5 | P41594 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | EIF4A3 | P38919 | 1/20 | 0.32 |
| ▸ | CDC7 | O00311 | 2/20 | 0.32 |
| ▸ | DBF4 | Q9UBU7 | 2/20 | 0.32 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.31 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL17604615 | 0.88 | NPY5R (0.44) | VNN1HRH3NPY5RKCNH2 | |
| SCHEMBL16094914 | 0.87 | HRH3 (0.36) | KDM4CHRH3NPY5RKCNH2CDC7 | |
| SCHEMBL16095290 | 0.85 | DYRK1A (0.40) | KDM4CVNN1MAOAMAOB | |
| SCHEMBL16095455 | 0.83 | CYP19A1 (0.38) | KDM4CHRH3NPY5RKCNH2 | |
| SCHEMBL16100476 | 0.80 | MAPK14 (0.41) | HRH3NPY5RKCNH2CDC7DBF4 | |
| SCHEMBL16095481 | 0.79 | KDM4C (0.57) | KDM4CMAOBCTSS | |
| SCHEMBL17604548 | 0.79 | NPY5R (0.38) | KDM4CHRH3NPY5RKCNH2GRM5 | |
| SCHEMBL16094947 | 0.77 | KDM4C (0.45) | KDM4CMAOBCTSS | |
| SCHEMBL16095178 | 0.76 | KDM4C (0.36) | IDH1KDM4CTSHRKCNH2GRM5 | |
| SCHEMBL16094887 | 0.76 | TSHR (0.37) | IDH1VNN1HRH3TSHRMAOA |
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-2969007-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals Inc (US) | 2016-01-20 | — | — | EP | disclosed |
| WO-2014151945-A1 | HISTONE DEMETHYLASE INHIBITORS | Quanticel Pharmaceuticals, Inc. (US) | 2014-09-25 | — | — | WO | disclosed |