Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 4/20 | 0.68 |
| ▸ | CYP1B1 | Q16678 | 4/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.68 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | NQO2 | P16083 | 2/20 | 0.53 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.53 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.51 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.51 |
| ▸ | TTR | P02766 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.49 |
| ▸ | TUBB4A | P04350 | 2/20 | 0.49 |
| ▸ | TUBB | P07437 | 2/20 | 0.49 |
| ▸ | TUBA3C | P0DPH7 | 2/20 | 0.49 |
| ▸ | TUBA1B | P68363 | 2/20 | 0.49 |
| ▸ | TUBA4A | P68366 | 2/20 | 0.49 |
| ▸ | TUBB4B | P68371 | 2/20 | 0.49 |
| ▸ | TUBB3 | Q13509 | 2/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL29778007 | 0.90 | TRPA1 (0.68) | CYP1A1CYP1B1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL33786 | 0.90 | TRPA1 (0.68) | CYP1A1CYP1B1CYP1A2TRPA1ALDH1A1 | |
| Methoxymethane SCHEMBL28668338 | 0.88 | TRPA1 (0.66) | CYP1A1CYP1B1CYP1A2TRPA1ALDH1A1 | |
| Ethylene SCHEMBL28209809 | 0.88 | TRPA1 (0.66) | CYP1A1CYP1B1CYP1A2TRPA1ALDH1A1 | |
| 1,2-Dimethoxybenzene SCHEMBL27615214 | 0.86 | ALDH1A1 (0.64) | CYP1A1CYP1B1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL7518943 | 0.84 | CYP1A1 (0.53) | CYP1A1CYP1B1CYP1A2TRPA1ALDH1A1 | |
| SCHEMBL5492093 | 0.81 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2ALDH1A1NQO2 | |
| SCHEMBL3306567 | 0.81 | CYP1A1 (0.72) | CYP1A1CYP1B1CYP1A2ALDH1A1TSHR | |
| SCHEMBL5492100 | 0.81 | CYP1A1 (1.00) | CYP1A1CYP1B1CYP1A2ALDH1A1NQO2 | |
| SCHEMBL7515734 | 0.81 | TRPA1 (0.53) | CYP1A1CYP1B1CYP1A2TRPA1ALDH1A1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3500602-A2 | METHODS OF ADHERING IN AN AQUEOUS ENVIRONMENT | Purdue Research Foundation (US) | 2019-06-26 | — | — | EP | disclosed |
| WO-2018089078-A2 | METHODS OF ADHERING IN AN AQUEOUS ENVIRONMENT | PURDUE RESEARCH FOUNDATION (US) | 2018-05-17 | — | — | WO | disclosed |
| US-8759465-B2 | Cross-linkable polymeric compositions | PURDUE RESEARCH FOUNDATION (US) | 2014-06-24 | — | — | US | disclosed |
| US-20090036611-A1 | Cross-Linkable Polymeric Compositions | NATIONAL SCIENCE FOUNDATION | 2009-02-05 | — | — | US | disclosed |
| WO-2007127225-A9 | CROSS-LINKABLE POLYMERIC COMPOSITIONS | PURDUE RESEARCH FOUNDATION (US) | 2008-01-03 | — | — | WO | disclosed |
| WO-2007127225-A2 | CROSS-LINKABLE POLYMERIC COMPOSITIONS | PURDUE RESEARCH FOUNDATION (US) | 2007-11-08 | — | — | WO | disclosed |
| US-20020055124-A1 | Soluble support for organic synthesis | THE SCRIPPS RESEARCH INSTITUTE | 2002-05-09 | — | — | US | disclosed |