Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | AR | P10275 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.35 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 3/20 | 0.34 |
| ▸ | DPP4 | P27487 | 1/20 | 0.34 |
| ▸ | DPP8 | Q6V1X1 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 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 | |
|---|---|---|---|---|
| SCHEMBL8412737 | 0.89 | GABRA1 (0.39) | NR1H2NR1H3NPSR1ALDH1A1KDM4E | |
| SCHEMBL29469792 | 0.84 | NR1H2 (0.40) | NR1H2NR1H3NPSR1ALDH1A1KDM4E | |
| SCHEMBL8409588 | 0.83 | NR1H2 (0.39) | NR1H2NR1H3NPSR1ALDH1A1KDM4E | |
| SCHEMBL8409593 | 0.83 | NR1H2 (0.39) | NR1H2NR1H3NPSR1ALDH1A1KDM4E | |
| SCHEMBL27361116 | 0.81 | MAOB (0.40) | NR1H2NR1H3NPSR1ALDH1A1KDM4E | |
| SCHEMBL9069065 | 0.79 | TRPV4 (0.41) | ALDH1A1KDM4ECYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8409328 | 0.79 | NR1H2 (0.36) | NR1H2NR1H3NPSR1ALDH1A1KDM4E | |
| SCHEMBL28995329 | 0.78 | NPSR1 (0.34) | NPSR1ALDH1A1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL25089766 | 0.75 | P2RX7 (0.46) | P2RX7CTSSCTSKSLC6A2SLC6A4 | |
| SCHEMBL8409006 | 0.75 | MEN1 (0.42) | NR1H2NR1H3NPSR1ALDH1A1KDM4E |
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 |