Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.35 |
| ▸ | PLA2G2C | Q5R387 | 5/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | PLA2G4B | P0C869 | 2/20 | 0.30 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3290563 | 0.98 | ALDH1A1 (0.34) | ALDH1A1CES2PLA2G2CCES1TSHR | |
| SCHEMBL2479267 | 0.87 | — | — | |
| SCHEMBL14693824 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CES2TSHRHCAR2 | |
| SCHEMBL105788 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CES2TSHRHCAR2 | |
| SCHEMBL107479 | 0.76 | ALDH1A1 (0.38) | ALDH1A1CES2TSHRHCAR2 | |
| SCHEMBL7947994 | 0.72 | SLC1A2 (0.38) | ALDH1A1PLA2G2CTSHRALOX15PLA2G4B | |
| SCHEMBL8845878 | 0.70 | HSPD1 (0.37) | ALDH1A1PLA2G2CTSHRALOX15PLA2G4B | |
| Acetoacetic Acid SCHEMBL28696004 | 0.69 | CES2 (0.39) | ALDH1A1CES2PLA2G2CCES1TSHR | |
| SCHEMBL124007 | 0.69 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL992975 | 0.67 | ALDH1A1 (0.39) | ALDH1A1CES2TSHRHCAR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2098554-B1 | METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION | JSR CORP (JP) | 2013-08-14 | — | — | EP | disclosed |
| EP-2377693-A1 | PNEUMATIC TIRE | Bridgestone Corporation (JP) | 2011-10-19 | — | — | EP | disclosed |
| EP-2098554-A1 | METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION | JSR Corporation (JP) | 2009-09-09 | — | — | EP | disclosed |