Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.59 |
| ▸ | RELA | Q04206 | 1/20 | 0.55 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.44 |
| ▸ | WNT3A | P56704 | 1/20 | 0.44 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | PLAU | P00749 | 1/20 | 0.42 |
| ▸ | PLAT | P00750 | 1/20 | 0.42 |
| ▸ | KLK1 | P06870 | 1/20 | 0.42 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.41 |
| ▸ | MAOA | P21397 | 2/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11769294 | 0.85 | RELA (0.55) | CYP2A6RELAPLGPLAUPLAT | |
| SCHEMBL11769290 | 0.85 | RELA (0.55) | CYP2A6RELAPLGPLAUPLAT | |
| SCHEMBL17821821 | 0.83 | CYP2A6 (0.61) | CYP2A6IDO1CTNNB1WNT3AADORA2A | |
| SCHEMBL17821819 | 0.83 | CYP2A6 (0.61) | CYP2A6IDO1CTNNB1WNT3AADORA2A | |
| SCHEMBL709090 | 0.80 | CYP2A6 (0.50) | CYP2A6 | |
| SCHEMBL709089 | 0.80 | CYP2A6 (0.50) | CYP2A6 | |
| SCHEMBL15676441 | 0.79 | CYP2A6 (0.61) | CYP2A6CTNNB1WNT3A | |
| SCHEMBL7896088 | 0.78 | CYP2A6 (0.51) | CYP2A6IDO1CTNNB1WNT3ANFE2L2 | |
| SCHEMBL28912228 | 0.78 | CYP3A4 (0.54) | CYP2A6RELACTNNB1WNT3AMAOB | |
| SCHEMBL29593149 | 0.78 | CYP3A4 (0.54) | CYP2A6RELACTNNB1WNT3AMAOB |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113105496-B | Method for synthesizing o-alkenylphenol derivative through nickel-catalyzed ring opening of benzofuran | 华南理工大学 | 2022-06-14 | — | — | CN | disclosed |
| CN-113105496-A | Method for synthesizing o-alkenylphenol derivative through nickel-catalyzed ring opening of benzofuran | 华南理工大学 | 2021-07-13 | — | — | CN | disclosed |
| EP-2121648-A2 | S1P RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX Pharmaceuticals, Inc. (US) | 2009-11-25 | — | — | EP | disclosed |
| WO-2007109334-A2 | SIP RECEPTOR MODULATING COMPOUNDS AND USE THEREOF | EPIX DELAWARE, INC. (US) | 2007-09-27 | — | — | WO | disclosed |