Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.64 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.60 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.60 |
| ▸ | ADORA2A | P29274 | 4/20 | 0.57 |
| ▸ | ADORA1 | P30542 | 4/20 | 0.57 |
| ▸ | SRC | P12931 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.51 |
| ▸ | AR | P10275 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | RAB9A | P51151 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
| ▸ | DHFR | P00374 | 1/20 | 0.49 |
| ▸ | CYP11B2 | P19099 | 5/20 | 0.48 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL3399081 | 0.81 | ADORA2A (0.51) | CYP1A2ADORA2AADORA1KDM4ENPC1 | |
| SCHEMBL3399237 | 0.80 | ADORA2A (0.68) | CYP1A1CYP1B1ADORA2AADORA1ALDH1A1 | |
| SCHEMBL31009002 | 0.80 | ADORA2A (0.67) | CYP1A2CYP1A1CYP1B1ADORA2AADORA1 | |
| SCHEMBL15314447 | 0.80 | CYP1A2 (0.96) | CYP1A2CYP1A1CYP1B1ADORA2AADORA1 | |
| SCHEMBL2325695 | 0.80 | ADORA2A (0.67) | CYP1A2CYP1A1CYP1B1ADORA2AADORA1 | |
| SCHEMBL3395696 | 0.79 | ADORA2A (0.53) | CYP1A1CYP1B1ADORA2AADORA1ALDH1A1 | |
| SCHEMBL2323331 | 0.76 | ADORA2A (0.62) | CYP1A2ADORA2AADORA1ALDH1A1KDM4E | |
| SCHEMBL11339337 | 0.76 | RAC1 (0.49) | CYP1A2CYP1A1CYP1B1ALDH1A1KDM4E | |
| SCHEMBL7386085 | 0.75 | CYP1A2 (0.79) | CYP1A2CYP1A1CYP1B1ADORA2AADORA1 | |
| SCHEMBL2323257 | 0.75 | KDM4E (0.53) | ADORA2AADORA1KDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |
| WO-2010046780-A2 | ANTI VIRAL COMPOUNDS | INSTITUT PASTEUR KOREA (KR) | 2010-04-29 | — | — | WO | disclosed |