Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.48 |
| ▸ | DHODH | Q02127 | 3/20 | 0.46 |
| ▸ | CDC25B | P30305 | 3/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | CCR4 | P51679 | 1/20 | 0.43 |
| ▸ | CCR5 | P51681 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.42 |
| ▸ | CDC25A | P30304 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | FABP3 | P05413 | 1/20 | 0.41 |
| ▸ | FABP4 | P15090 | 1/20 | 0.41 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.41 |
| ▸ | KDM4C | Q9H3R0 | 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 | |
|---|---|---|---|---|
| SCHEMBL15268202 | 0.88 | RECQL (0.42) | DHODHCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL15268211 | 0.85 | TP53 (0.43) | DHODHALDH1A1MAPTGRIK1 | |
| SCHEMBL12347517 | 0.83 | DHODH (0.42) | NR4A1DHODHCDC25BCYP1A2CYP3A4 | |
| SCHEMBL15268206 | 0.82 | P2RX7 (0.43) | DHODHCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL172767 | 0.81 | DHODH (0.40) | DHODHCYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL18714267 | 0.79 | CCR2 (0.43) | NR4A1DHODHCYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10223694 | 0.77 | CCR9 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL15268207 | 0.75 | KCNMA1 (0.48) | ALDH1A1GAAMAPT | |
| SCHEMBL21339535 | 0.73 | SCN9A (0.37) | DHODHALDH1A1LMNAGAAMAPT | |
| SCHEMBL15268204 | 0.73 | KCNQ3 (0.46) | — |
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-2008008431-A2 | HETEROARYL SULFONAMIDES AND CCR2/CCR9 | CHEMOCENTRYX, INC. (US) | 2008-01-17 | — | — | WO | disclosed |