Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | ELANE | P08246 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 2/20 | 0.36 |
| ▸ | PDE4A | P27815 | 1/20 | 0.35 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.35 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.35 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | TPH1 | P17752 | 1/20 | 0.35 |
| ▸ | TPH2 | Q8IWU9 | 1/20 | 0.35 |
| ▸ | PRKCA | P17252 | 1/20 | 0.34 |
| ▸ | GSK3A | P49840 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090465 | 0.90 | MEN1 (0.39) | MEN1KMT2AALDH1A1MAPTCYP2C19 | |
| SCHEMBL19090462 | 0.80 | P2RX3 (0.35) | MEN1KMT2AALDH1A1MAPTCYP2C19 | |
| SCHEMBL19090464 | 0.74 | P2RX3 (0.36) | MEN1KMT2AALDH1A1MAPTCYP2C19 | |
| SCHEMBL19090395 | 0.73 | ADAMTS5 (0.35) | MEN1KMT2AALDH1A1MAPTCYP2C19 | |
| SCHEMBL19090209 | 0.73 | APOBEC3G (0.47) | MEN1KMT2AALDH1A1MAPTPOLB | |
| SCHEMBL19090593 | 0.70 | BRD4 (0.34) | PDE5A | |
| SCHEMBL29721572 | 0.67 | KMT2A (0.68) | MEN1KMT2AALDH1A1MAPTELANE | |
| SCHEMBL21389577 | 0.66 | MEN1 (1.00) | MEN1KMT2AALDH1A1MAPTNPSR1 | |
| SCHEMBL9678054 | 0.64 | KMT2A (0.54) | MEN1KMT2AELANECYP2C19NPSR1 | |
| SCHEMBL10836880 | 0.61 | TSHR (0.51) | MEN1KMT2AALDH1A1POLBNPSR1 |
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-2017114843-A1 | XANTHINE DERIVATIVE INHIBITORS OF BET PROTEINS | INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) | 2017-07-06 | — | — | WO | disclosed |