Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.66 |
| ▸ | TSHR | P16473 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.62 |
| ▸ | POLB | P06746 | 1/20 | 0.62 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 2/20 | 0.59 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.59 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.59 |
| ▸ | CA2 | P00918 | 1/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.50 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.50 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL11232187 | 0.87 | ALDH1A1 (0.65) | ALDH1A1TSHRMAPK1KDM4EPOLB | |
| SCHEMBL7456660 | 0.84 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPK1KDM4EPOLB | |
| SCHEMBL10398670 | 0.84 | ALDH1A1 (0.67) | ALDH1A1TSHRMAPK1KDM4EPOLB | |
| SCHEMBL110764 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TSHRMAPK1LMNACYP3A4 | |
| SCHEMBL29932757 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TSHRMAPK1LMNACYP3A4 | |
| SCHEMBL29714768 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TSHRMAPK1LMNACYP3A4 | |
| SCHEMBL29832337 | 0.83 | ALDH1A1 (0.81) | ALDH1A1TSHRMAPK1LMNACYP3A4 | |
| SCHEMBL12469345 | 0.82 | ALDH1A1 (0.69) | ALDH1A1TSHRMAPK1LMNACYP3A4 | |
| SCHEMBL490645 | 0.82 | LMNA (0.50) | ALDH1A1TSHRMAPK1LMNACYP3A4 | |
| SCHEMBL10398466 | 0.82 | ALDH1A1 (0.65) | ALDH1A1TSHRMAPK1KDM4EPOLB |
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-4362510-A | ESTER OF VANILLIC ACID, METAL OXIDE OR HYDROXIDE | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1982-12-07 | — | — | US | disclosed |