Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.45 |
| ▸ | TP53 | P04637 | 3/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.45 |
| ▸ | MTOR | P42345 | 2/20 | 0.45 |
| ▸ | MYLK | Q15746 | 2/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.44 |
| ▸ | GMNN | O75496 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CDK2 | P24941 | 1/20 | 0.38 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL9473750 | 0.88 | LDHA (0.38) | CYP3A4CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL29904571 | 0.87 | CDK2 (0.46) | CYP3A4CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL3133065 | 0.87 | CDK2 (0.46) | CYP3A4CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL15461559 | 0.79 | CYP1A2 (0.45) | CYP3A4CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL28787703 | 0.79 | CDK2 (0.62) | CYP3A4CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL5284994 | 0.79 | TTR (0.60) | CYP3A4CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL29515914 | 0.78 | ALDH1A1 (0.44) | CYP3A4CYP2C19TSHRCA2CA1 | |
| SCHEMBL745249 | 0.78 | ALDH1A1 (0.44) | CYP3A4CYP2C19TSHRCA2CA1 | |
| Hydrochloric Acid SCHEMBL27788430 | 0.78 | CDK2 (0.60) | CYP3A4CYP1A2CYP2D6CYP2C19TP53 | |
| SCHEMBL9165551 | 0.77 | ALDH1A1 (0.48) | CYP1A2TSHRCDK2TTRSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5239052-A | Heating aromatic disulfide in the presence of an aromatic halide | HAY ALLAN S (CA) | 1993-08-24 | — | — | US | disclosed |
| US-5177183-A | Reaction of a halophenyl disulfide to form polyphenylene thioether | HAY ALLAN S (CA) | 1993-01-05 | — | — | US | disclosed |
| US-4406875-A | Radiolabeled amine compounds and their use | BYK-MALLINCKRODT CIL B.V. (NL) | 1983-09-27 | — | — | US | disclosed |
| WO-1980001685-A1 | RADIOLABELED AMINE COMPOUNDS AND THEIR USE | BYK MALLINCKRODT CIL BV (NL) | 1980-08-21 | — | — | WO | disclosed |