Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | CRHBP | P24387 | 1/20 | 0.33 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5071847 | 0.84 | SOAT2 (0.43) | TP53TDP1MEN1KMT2AKCNH2 | |
| SCHEMBL5146711 | 0.84 | SOAT2 (0.43) | TP53TDP1MEN1KMT2AKCNH2 | |
| SCHEMBL3684137 | 0.81 | ALDH1A1 (0.40) | ALDH1A1TSHRGLATP53MAPT | |
| SCHEMBL6664264 | 0.78 | TLR8 (0.36) | ALDH1A1TSHRGLATP53MAPT | |
| Butane SCHEMBL28208271 | 0.75 | ALDH1A1 (0.55) | ALDH1A1TSHRGLATP53MAPT | |
| SCHEMBL5831023 | 0.70 | MAOB (0.50) | ALDH1A1TSHRTP53CYP2C19TRPA1 | |
| SCHEMBL8338521 | 0.70 | TSHR (0.52) | ALDH1A1TSHRTP53CYP3A4CYP2C19 | |
| SCHEMBL6662115 | 0.68 | ALDH1A1 (0.38) | ALDH1A1TSHRGLATP53MAPT | |
| SCHEMBL2960795 | 0.67 | MEN1 (0.40) | ALDH1A1TSHRGLAMAPTHTT | |
| SCHEMBL9193487 | 0.67 | TSHR (0.37) | ALDH1A1TSHRGLATP53MAPT |
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-3887428-A1 | RESIN BLENDS INCLUDING PHTHALONITRILE RESIN AND THIADIAZOLE SUBSTITUTED PHTHALONITRILE COMPOUND, ARTICLES, COMPOUNDS, AND METHODS | 3M Innovative Properties Company (US) | 2021-10-06 | — | — | EP | disclosed |
| WO-2020109902-A1 | RESIN BLENDS INCLUDING PHTHALONITRILE RESIN AND THIADIAZOLE SUBSTITUTED PHTHALONITRILE COMPOUND, ARTICLES, COMPOUNDS, AND METHODS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2020-06-04 | — | — | WO | disclosed |