Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR1H2 | P55055 | 15/20 | 0.56 |
| ▸ | NR1H3 | Q13133 | 15/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | XDH | P47989 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MLYCD | O95822 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8002836 | 0.79 | TAAR1 (0.48) | ALDH1A1XDHTP53CYP3A4ALOX15 | |
| SCHEMBL130132 | 0.78 | NR1H2 (0.52) | NR1H2NR1H3SMN1; SMN2MLYCD | |
| SCHEMBL1428666 | 0.76 | ALDH1A1 (0.48) | NR1H2NR1H3ALDH1A1XDHTP53 | |
| SCHEMBL13961178 | 0.76 | ALDH1A1 (0.48) | NR1H2NR1H3ALDH1A1XDHTP53 | |
| SCHEMBL131990 | 0.76 | NR1H2 (0.68) | NR1H2NR1H3SMN1; SMN2MLYCD | |
| SCHEMBL14636831 | 0.75 | NR1H2 (0.53) | NR1H2NR1H3MLYCD | |
| SCHEMBL28857699 | 0.75 | ESR1 (0.60) | NR1H2NR1H3ALDH1A1XDHTP53 | |
| Potassium SCHEMBL29898254 | 0.75 | ESR1 (0.60) | NR1H2NR1H3ALDH1A1XDHTP53 | |
| SCHEMBL20362695 | 0.74 | NR1H2 (0.53) | NR1H2NR1H3MLYCD | |
| SCHEMBL643498 | 0.74 | NR1H2 (0.56) | NR1H2NR1H3ALDH1A1SMN1; SMN2MLYCD |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4727180-A | SIDE EFFECT REDUCTION | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1988-02-23 | — | — | US | disclosed |