Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC40A1 | Q9NP59 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | PIK3CD | O00329 | 4/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | HPGDS | O60760 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | PDE4A | P27815 | 1/20 | 0.40 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.40 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.40 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.39 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | PIN1 | Q13526 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Jineol Methyl Ether SCHEMBL8613544 | 0.81 | HPGDS (0.62) | MEN1KMT2ARELAHPGDSPARP1 | |
| SCHEMBL29923835 | 0.81 | MAPT (0.45) | SLC40A1KMT2APIK3CDRELAHPGDS | |
| SCHEMBL4799696 | 0.80 | NR1H2 (0.44) | MEN1KMT2ACYP1A2NPC1RAB9A | |
| SCHEMBL10320559 | 0.79 | PARP1 (0.45) | SLC40A1MEN1KMT2ARELAHPGDS | |
| SCHEMBL15703131 | 0.79 | PSMD14 (0.62) | RELAHPGDSPARP1CYP1A2CYP2A6 | |
| SCHEMBL6347577 | 0.79 | RELA (0.52) | RELACYP1A2CYP2A6NPC1RAB9A | |
| SCHEMBL30492638 | 0.79 | RELA (0.52) | RELACYP1A2CYP2A6NPC1RAB9A | |
| SCHEMBL6422325 | 0.77 | PSMD14 (0.62) | SLC40A1PARP1CYP1A2CYP2A6 | |
| SCHEMBL1408873 | 0.76 | CYP1A2 (0.50) | MEN1KMT2ARELACYP1A2CYP2A6 | |
| SCHEMBL6356302 | 0.76 | CCR1 (0.62) | SLC40A1MEN1KMT2ARELACYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-109689647-A | The compound that bicyclic heteroaryl replaces | 百时美施贵宝公司 | 2019-04-26 | — | — | CN | disclosed |