Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | BRD3 | Q15059 | 2/20 | 0.36 |
| ▸ | TACR1 | P25103 | 3/20 | 0.35 |
| ▸ | CTSL | P07711 | 1/20 | 0.35 |
| ▸ | CTSB | P07858 | 1/20 | 0.35 |
| ▸ | CTSS | P25774 | 1/20 | 0.35 |
| ▸ | CTSK | P43235 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.35 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.35 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.35 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.35 |
| ▸ | PLK1 | P53350 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1374880 | 1.00 | CYP1A2 (0.40) | CYP1A2POLBCYP3A4CYP2C19BRD3 | |
| SCHEMBL24645440 | 0.91 | ALDH1A1 (0.40) | CYP1A2POLBCYP3A4CYP2C19TACR1 | |
| SCHEMBL1375762 | 0.89 | ALDH1A1 (0.42) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL1371847 | 0.85 | CYP1A2 (0.41) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL2172111 | 0.85 | CYP1A2 (0.41) | CYP1A2POLBCYP3A4CYP2C19NR1H2 | |
| SCHEMBL2171252 | 0.84 | CCR3 (0.43) | CYP3A4NR1H2NR1H3 | |
| SCHEMBL29036351 | 0.84 | CCR3 (0.43) | CYP3A4NR1H2NR1H3 | |
| SCHEMBL1371619 | 0.84 | CCR3 (0.43) | CYP3A4NR1H2NR1H3 | |
| SCHEMBL1374795 | 0.83 | S1PR1 (0.52) | CYP1A2POLBCYP3A4CYP2C19LMNA | |
| SCHEMBL1374798 | 0.83 | S1PR1 (0.52) | CYP1A2POLBCYP3A4CYP2C19LMNA |
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-2346821-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | Exelixis, Inc. (US) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010045580-A1 | SPHINGOSINE-1-PHOSPHATE RECEPTOR ANTAGONISTS | EXELIXIS, INC. (US) | 2010-04-22 | — | — | WO | disclosed |