Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | FABP4 | P15090 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA5A | P35218 | 1/20 | 0.37 |
| ▸ | PTGDR2 | Q9Y5Y4 | 6/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | SELL | P14151 | 1/20 | 0.35 |
| ▸ | SELP | P16109 | 1/20 | 0.35 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL1570963 | 0.85 | CYP3A4 (0.63) | CYP3A4FABP4GAANPSR1TSHR | |
| SCHEMBL2280449 | 0.79 | PTGDR2 (0.48) | CYP3A4PTGDR2TBXA2RPTGDR | |
| SCHEMBL349853 | 0.79 | CYP3A4 (0.70) | CYP3A4FABP4GAANPSR1TSHR | |
| SCHEMBL13521953 | 0.76 | CYP3A4 (0.49) | CYP3A4GAANPSR1TSHRALDH1A1 | |
| SCHEMBL12197418 | 0.74 | PTGDR2 (0.46) | CYP3A4GAATSHRALDH1A1NFKB1 | |
| Benzene SCHEMBL2280257 | 0.71 | PTGDR2 (0.46) | CYP3A4GAANPSR1TSHRALDH1A1 | |
| SCHEMBL21328360 | 0.71 | GAA (0.70) | CYP3A4GAANPSR1TSHRALDH1A1 | |
| SCHEMBL2280248 | 0.71 | CHRM1 (0.46) | CYP3A4GAANPSR1TSHRALDH1A1 | |
| SCHEMBL2285931 | 0.70 | PTGDR2 (0.50) | CYP3A4GAANPSR1PTGDR2TBXA2R | |
| SCHEMBL19033464 | 0.70 | CYP3A4 (0.63) | CYP3A4GAANPSR1TSHRALDH1A1 |
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-2010003127-A2 | ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |