Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1I2 | O75469 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | TNF | P01375 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 4/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 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 | |
|---|---|---|---|---|
| SCHEMBL7100558 | 0.76 | PKM (0.49) | NR1I2PKMALDH1A1TSHRTP53 | |
| SCHEMBL10746069 | 0.70 | NR1I2 (0.64) | NR1I2PKMADRA1ATNFKMT2A | |
| SCHEMBL7096707 | 0.69 | ALDH1A1 (0.44) | NR1I2PKMKMT2AALDH1A1TSHR | |
| SCHEMBL7095670 | 0.68 | ALDH1A1 (0.50) | NR1I2PKMKMT2AALDH1A1TSHR | |
| SCHEMBL7101748 | 0.68 | NR1I2 (0.43) | NR1I2PKMALDH1A1TSHRTP53 | |
| SCHEMBL9806914 | 0.65 | NR1I2 (0.76) | NR1I2PKMKMT2AALDH1A1TSHR | |
| Riodipine SCHEMBL636400 | 0.63 | NR1I2 (1.00) | NR1I2ADRA1AKMT2AALDH1A1TSHR | |
| Riodipine SCHEMBL29389667 | 0.63 | NR1I2 (1.00) | NR1I2ADRA1AKMT2AALDH1A1TSHR | |
| SCHEMBL29750491 | 0.62 | ADRA1A (0.47) | NR1I2PKMADRA1ATNFKMT2A | |
| SCHEMBL3019670 | 0.62 | ADRA1A (0.47) | NR1I2PKMADRA1ATNFKMT2A |
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-1131322-A2 | DIHYDROPYRIDINE COMPOUNDS AND METHODS OF USE | ABBOTT LABORATORIES (US) | 2001-09-12 | — | — | EP | claimed |
| WO-2000024741-A2 | DIHYDROPYRIDINE COMPOUNDS AND THEIR USE AS POTASSIUM CHANNEL OPENERS | ABBOTT LABORATORIES (US) | 2000-05-04 | — | — | WO | claimed |