Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR1 | P32246 | 2/20 | 0.51 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CTSG | P08311 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CNR2 | P34972 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | SCD | O00767 | 1/20 | 0.40 |
| ▸ | DCTPP1 | Q9H773 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL11888889 | 0.84 | HDAC1 (0.49) | CCR1EPHX2HDAC1HDAC3HDAC2 | |
| SCHEMBL22874147 | 0.82 | HDAC3 (0.50) | CCR1EPHX2HDAC1HDAC3HDAC2 | |
| SCHEMBL11888911 | 0.82 | HDAC3 (0.50) | CCR1EPHX2HDAC1HDAC3HDAC2 | |
| SCHEMBL5369302 | 0.82 | CYP3A4 (0.59) | EPHX2TSHRCYP2C19CYP3A4CYP2C9 | |
| SCHEMBL13353667 | 0.80 | CCR1 (0.47) | CCR1EPHX2HDAC1HDAC3HDAC2 | |
| SCHEMBL14818738 | 0.79 | TSHR (0.71) | EPHX2TSHRCYP2C19CYP3A4CYP2C9 | |
| SCHEMBL8903216 | 0.79 | TSHR (0.66) | EPHX2TSHRCYP2C19CYP3A4CYP2C9 | |
| SCHEMBL19375077 | 0.79 | TSHR (0.66) | EPHX2TSHRCYP2C19CYP3A4CYP2C9 | |
| SCHEMBL28061777 | 0.78 | CYP3A4 (0.50) | CCR1EPHX2TSHRCYP2C19CYP3A4 | |
| SCHEMBL13353668 | 0.78 | CYP2D6 (0.66) | TSHRCYP2C19CYP3A4CYP2C9POLB |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010051476-A1 | FILAMIN A-BINDING ANTI-INFLAMMATORY ANALGESIC | PAIN THERAPEUTICS, INC. (US) | 2010-05-06 | — | — | WO | disclosed |