Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.35 |
| ▸ | POLQ | O75417 | 1/20 | 0.35 |
| ▸ | AR | P10275 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8412934 | 0.89 | GABRA1 (0.42) | NR1H2NR1H3ALDH1A1KDM4ENPSR1 | |
| SCHEMBL29469792 | 0.83 | NR1H2 (0.40) | NR1H2NR1H3ALDH1A1KDM4ENPSR1 | |
| SCHEMBL8409681 | 0.83 | NR1H2 (0.40) | NR1H2NR1H3ALDH1A1KDM4ENPSR1 | |
| SCHEMBL8409588 | 0.82 | NR1H2 (0.39) | NR1H2NR1H3ALDH1A1KDM4ENPSR1 | |
| SCHEMBL11809026 | 0.82 | GABRA1 (0.41) | GABRA1GABRB2TSHRSLC9A1SMN1; SMN2 | |
| SCHEMBL8409421 | 0.81 | IDO1 (0.38) | ALDH1A1KDM4ENPSR1POLQAR | |
| SCHEMBL795355 | 0.80 | MEN1 (0.41) | ALDH1A1KDM4EPOLBMEN1CYP1A2 | |
| SCHEMBL8409328 | 0.77 | NR1H2 (0.36) | NR1H2NR1H3ALDH1A1KDM4ENPSR1 | |
| SCHEMBL2528805 | 0.77 | TTR (0.38) | GABRA1GABRB2CYP1A2SLC9A1HSD11B1 | |
| SCHEMBL10405821 | 0.77 | NPSR1 (0.44) | ALDH1A1KDM4ENPSR1POLQMEN1 |
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-0708087-B1 | Method for making a substituted benzene compound | ROHM & HAAS (US) | 1999-07-28 | — | — | EP | disclosed |
| EP-0708087-A1 | Method for making a substituted benzene compound | ROHM AND HAAS COMPANY (US) | 1996-04-24 | — | — | EP | disclosed |