Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.34 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.33 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.33 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.33 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | ABCB4 | P21439 | 1/20 | 0.33 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.33 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.33 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.33 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.33 |
| ▸ | OPRM1 | P35372 | 5/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9992 | 0.94 | ABCC3 (0.36) | LMNATSHRNPSR1TDP1ADORA2A | |
| SCHEMBL10209 | 0.93 | LMNA (0.36) | LMNATSHRNPSR1TDP1ABCC3 | |
| SCHEMBL10567 | 0.92 | CYP2C9 (0.40) | ADORA2AABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL9783 | 0.89 | OPRM1 (0.38) | LMNATSHRNPSR1TDP1ABCC3 | |
| SCHEMBL4512 | 0.89 | ABCC3 (0.40) | LMNATSHRNPSR1TDP1ADORA2A | |
| SCHEMBL10568 | 0.87 | LPAR1 (0.44) | ADORA2AABCC3ABCC4ABCB11CYP2C8 | |
| SCHEMBL10135 | 0.87 | LMNA (0.39) | LMNATSHRNPSR1TDP1ABCC3 | |
| SCHEMBL10210 | 0.86 | ABCC3 (0.40) | LMNATSHRNPSR1TDP1ABCC3 | |
| SCHEMBL9883 | 0.85 | CYP2C9 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 | |
| SCHEMBL10274 | 0.84 | CYP2C9 (0.41) | ABCC3ABCC4ABCB11CYP2C8CYP2C9 |
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-2483251-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | Amira Pharmaceuticals, Inc. (US) | 2012-08-08 | — | — | EP | disclosed |
| WO-2011041462-A2 | POLYCYCLIC COMPOUNDS AS LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS | AMIRA PHARMACEUTICALS, INC. (US) | 2011-04-07 | — | — | WO | disclosed |