Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.57 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.57 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.55 |
| ▸ | BLM | P54132 | 1/20 | 0.55 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.53 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| Vanillic Acid SCHEMBL31550996 | 0.93 | HTT (0.78) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Vanillic Acid SCHEMBL31550980 | 0.92 | HTT (0.81) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Vanillic Acid SCHEMBL31550988 | 0.92 | HTT (0.81) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Nonanoate SCHEMBL28041994 | 0.90 | CYP1A2 (0.55) | HTTCYP1A2CYP3A4CYP2C9CYP2C19 | |
| Stearic Acid SCHEMBL11246448 | 0.89 | CA12 (0.66) | POLB | |
| Vanillic Acid SCHEMBL29155465 | 0.85 | HTT (0.69) | HTTCYP1A2HDAC6ALDH1A1BLM | |
| Vanillic Acid SCHEMBL28940595 | 0.85 | HTT (0.69) | HTTCYP1A2HDAC6BLMKDM4E | |
| Stearic Acid SCHEMBL27937183 | 0.85 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| Hexanoate SCHEMBL4090516 | 0.85 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 | |
| SCHEMBL28541651 | 0.85 | CYP1A2 (0.61) | CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2424872-A1 | NEUROPROTECTIVE COMPOUNDS AND THEIR USE | The MCW Research Foundation, Inc. (US) | 2012-03-07 | — | — | EP | disclosed |
| WO-2010126719-A1 | NEUROPROTECTIVE COMPOUNDS AND THEIR USE | MCW RESEARCH FOUNDATION, INC. (US) | 2010-11-04 | — | — | WO | disclosed |