Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.54 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL31308059 | 0.81 | OPRM1 (0.46) | CYP1A2CES1KCNN4TSHRMAPT | |
| SCHEMBL19437340 | 0.80 | CYP1A2 (0.50) | CYP1A2CES1KCNN4CYP2D6TSHR | |
| SCHEMBL19437483 | 0.80 | CYP1A2 (0.50) | CYP1A2CES1KCNN4CYP2D6TSHR | |
| SCHEMBL6557133 | 0.75 | CES1 (0.44) | CYP1A2CES1KCNN4CYP2D6TSHR | |
| SCHEMBL1585516 | 0.74 | CES1 (0.68) | CYP1A2CES1KCNN4CYP2D6TSHR | |
| SCHEMBL5130509 | 0.74 | KCNN4 (0.52) | CYP1A2CES1KCNN4CYP2D6TSHR | |
| SCHEMBL340836 | 0.74 | KCNN4 (0.52) | CYP1A2CES1KCNN4CYP2D6TSHR | |
| SCHEMBL8381914 | 0.73 | CYP1A2 (0.40) | CYP1A2CES1KCNN4TSHRKMT2A | |
| SCHEMBL3435120 | 0.73 | ALDH1A1 (0.47) | CYP1A2CYP2D6TSHRKMT2ACYP2C19 | |
| SCHEMBL9291597 | 0.73 | MEN1 (0.43) | CYP1A2CES1KCNN4CYP2D6MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-102557971-B | Substituted acids for the treatment of respiratory diseases | ASTRAZENECA AB | 2015-06-17 | — | — | CN | disclosed |
| EP-0169537-B1 | 2-PHENYLALKYL-3-AMINOALKYL-4(3H)-QUINAZOLINONES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS AND USE | MITSUBISHI KASEI CORPORATION (JP) | 1990-01-03 | — | — | EP | disclosed |
| US-4668682-A | CALCIUM ANTAGONISTS, VASODILATORS, HYPOTENSIVE AGENTS | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1987-05-26 | — | — | US | disclosed |
| EP-0169537-A2 | 2-Phenylalkyl-3-aminoalkyl-4(3H)-quinazolinones, processes for preparing them, pharmaceutical compositions and use | MITSUBISHI KASEI CORPORATION (JP) | 1986-01-29 | — | — | EP | disclosed |