Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 2/20 | 0.45 |
| ▸ | LPAR3 | Q9UBY5 | 6/20 | 0.42 |
| ▸ | LPAR2 | Q9HBW0 | 3/20 | 0.42 |
| ▸ | LPAR1 | Q92633 | 2/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.41 |
| ▸ | S1PR2 | O95136 | 5/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 5/20 | 0.38 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 5/20 | 0.38 |
| ▸ | SMPD1 | P17405 | 4/20 | 0.38 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL27769874 | 0.98 | MMP2 (0.47) | MMP2LPAR3LPAR2LPAR1MMP1 | |
| SCHEMBL29217554 | 0.92 | S1PR2 (0.48) | LPAR3LPAR2LPAR1S1PR2S1PR4 | |
| SCHEMBL3418692 | 0.91 | S1PR2 (0.47) | MMP2LPAR3LPAR2LPAR1S1PR2 | |
| SCHEMBL23000967 | 0.89 | S1PR2 (0.50) | LPAR3LPAR2LPAR1S1PR2S1PR4 | |
| SCHEMBL8819161 | 0.89 | S1PR2 (0.50) | LPAR3LPAR2LPAR1S1PR2S1PR4 | |
| SCHEMBL23001061 | 0.89 | S1PR2 (0.50) | LPAR3LPAR2LPAR1S1PR2S1PR4 | |
| SCHEMBL28606781 | 0.89 | S1PR2 (0.50) | LPAR3LPAR2LPAR1S1PR2S1PR4 | |
| SCHEMBL28707730 | 0.88 | S1PR2 (0.48) | LPAR3LPAR2LPAR1S1PR2S1PR4 | |
| SCHEMBL21064947 | 0.84 | — | — | |
| SCHEMBL10437183 | 0.83 | MMP2 (0.45) | MMP2LPAR3LPAR2LPAR1MMP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105983426-A | Amorphous calcium phosphate catalyst for use in production of 1,3-butadiene and methyl ethyl ketone from 2,3-butanediol, and method of preparing the same | SK新技术株式会社 | 2016-10-05 | — | — | CN | disclosed |