Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.30 |
| ▸ | HPGD | P15428 | 2/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19090593 | 0.81 | BRD4 (0.34) | BRD4TP53 | |
| SCHEMBL19090323 | 0.76 | BRD4 (0.47) | LMNABRD4TP53NPSR1KDM4E | |
| SCHEMBL19090209 | 0.76 | APOBEC3G (0.47) | NPC1RAB9ALMNATP53ALDH1A1 | |
| SCHEMBL19090462 | 0.76 | P2RX3 (0.35) | RAB9ALMNATP53ALDH1A1NPSR1 | |
| SCHEMBL19090307 | 0.76 | BRD4 (0.57) | NPC1RAB9APDE10ABRD4NPSR1 | |
| SCHEMBL19090465 | 0.75 | MEN1 (0.39) | RAB9ALMNATP53ALDH1A1NPSR1 | |
| SCHEMBL19090464 | 0.71 | P2RX3 (0.36) | RAB9ALMNATP53ALDH1A1HPGD | |
| SCHEMBL19090224 | 0.71 | MAPT (0.47) | NPC1RAB9AALDH1A1HPGDNPSR1 | |
| SCHEMBL21389586 | 0.69 | BRD4 (0.63) | NPC1RAB9APDE10ABRD4 | |
| SCHEMBL19090459 | 0.68 | MEN1 (0.49) | ALDH1A1NPSR1CYP2C19 |
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 |