Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | RELA | Q04206 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NAT1 | P18440 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.37 |
| ▸ | ACP3 | P15309 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3282082 | 0.85 | MAOB (0.46) | MAOBNPC1RAB9ATP53TSHR | |
| SCHEMBL3904220 | 0.81 | MEN1 (0.40) | CYP2A6MAOBNPC1RAB9ASMN1; SMN2 | |
| Benzenethiol SCHEMBL7134302 | 0.80 | ALDH1A1 (0.42) | CYP2A6NPC1RAB9ASMN1; SMN2ATM | |
| SCHEMBL4812560 | 0.80 | MEN1 (0.39) | CYP2A6MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL164357 | 0.78 | ALDH1A1 (0.48) | CYP2A6NPC1RAB9ASMN1; SMN2ATM | |
| SCHEMBL48358 | 0.78 | — | — | |
| SCHEMBL9557019 | 0.77 | BCL2 (0.35) | CYP2A6MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5009584 | 0.77 | TSHR (0.37) | CYP2A6TSHRACP3IDO1 | |
| Water SCHEMBL28356164 | 0.76 | — | — | |
| Biphenyl SCHEMBL3199503 | 0.76 | ALDH1A1 (0.50) | CYP2A6NPC1RAB9ASMN1; SMN2ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-6586376-B1 | Sterically hindered polyol ester and polyphenyl thioether, oxidation resistance; jet turbine engines | EXXONMOBIL RESEARCH AND ENGINEERING COMPANY | 2003-07-01 | — | — | US | disclosed |