Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRA | P11474 | 1/20 | 0.64 |
| ▸ | PNLIP | P16233 | 15/20 | 0.63 |
| ▸ | MAPT | P10636 | 1/20 | 0.62 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.62 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.59 |
| ▸ | STK39 | Q9UEW8 | 1/20 | 0.59 |
| ▸ | GCGR | P47871 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL22114325 | 0.90 | ESRRA (0.61) | ESRRAPNLIPMAPTNPSR1CYP3A4 | |
| SCHEMBL11120158 | 0.90 | ESRRA (0.61) | ESRRAPNLIPMAPTNPSR1CYP3A4 | |
| SCHEMBL2170621 | 0.89 | ESRRA (0.71) | ESRRAPNLIPCYP3A4TSHRSTK39 | |
| SCHEMBL11498106 | 0.88 | CYP3A4 (0.71) | ESRRAPNLIPMAPTNPSR1CYP3A4 | |
| SCHEMBL31536382 | 0.88 | PNLIP (0.64) | PNLIPMAPTNPSR1STK39GCGR | |
| SCHEMBL22069619 | 0.88 | PNLIP (0.64) | PNLIPMAPTNPSR1STK39GCGR | |
| SCHEMBL11120090 | 0.87 | ESRRA (0.59) | ESRRAPNLIPMAPTNPSR1CYP3A4 | |
| SCHEMBL22069691 | 0.87 | PNLIP (0.60) | PNLIPMAPTNPSR1STK39GCGR | |
| SCHEMBL7930411 | 0.86 | PNLIP (0.63) | PNLIPMAPTNPSR1STK39GCGR | |
| SCHEMBL11118749 | 0.86 | MAPT (0.60) | ESRRAPNLIPMAPTNPSR1CYP3A4 |
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 |