Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10978789 | 0.81 | ALDH1A1 (0.50) | CES2CES1ALDH1A1NPC1HPGD | |
| SCHEMBL9509026 | 0.79 | ALDH1A1 (0.50) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL6384300 | 0.78 | MAPT (0.45) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL3871767 | 0.77 | MAPT (0.44) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL10843654 | 0.76 | CES2 (0.54) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL5127520 | 0.75 | CES2 (0.59) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL4793883 | 0.73 | CES2 (0.56) | CES2CES1CA1CA2NPC1 | |
| SCHEMBL19041598 | 0.72 | CA1 (0.52) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL9040915 | 0.72 | CES2 (0.50) | CES2CES1CA1CA2ALDH1A1 | |
| SCHEMBL3852076 | 0.72 | CES2 (0.50) | CES2CES1CA1CA2ALDH1A1 |
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-1221844-B1 | SELECTIVE HERBICIDES BASED ON PYRIMIDINE-DERIVATIVES | BAYER CROPSCIENCE AG (DE) | 2004-08-18 | — | — | EP | claimed |
| EP-0348737-B1 | HETEROARYLOXY-ACETIC ACID N-ISOPROPYL ANILIDES | BAYER AG (DE) | 1993-08-04 | — | — | EP | claimed |