Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | CASP1 | P29466 | 2/20 | 0.43 |
| ▸ | CASP7 | P55210 | 2/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.41 |
| ▸ | ADRA1A | P35348 | 3/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL819493 | 0.90 | CYP2C9 (0.53) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL7376559 | 0.90 | CYP2C9 (0.53) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL7373610 | 0.90 | CYP2C9 (0.53) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| Phenylpiperazine SCHEMBL10666908 | 0.86 | HTR6 (0.41) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL3034308 | 0.86 | ALDH1A1 (0.49) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL10733597 | 0.83 | TSHR (0.39) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL10666914 | 0.79 | TSHR (0.39) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL7267559 | 0.78 | TSHR (0.44) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL7273568 | 0.78 | CYP2C9 (0.67) | ALDH1A1HSD17B10TSHRHPGDMAPT | |
| SCHEMBL7265615 | 0.77 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TSHRHPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4753936-A | CARDIOVASCULAR DISORDERS | BAYER AKTIENGESELLSCHAFT (DE) | 1988-06-28 | — | — | US | disclosed |
| EP-0234196-A1 | Substituted 1,4-dihydropyridine-3-carboxylic acid piperazides, process for their preparation and their use in medicaments | BAYER AG (DE) | 1987-09-02 | — | — | EP | disclosed |