Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALB | P02768 | 1/20 | 0.62 |
| ▸ | CES2 | O00748 | 5/20 | 0.61 |
| ▸ | CES1 | P23141 | 5/20 | 0.61 |
| ▸ | BCHE | P06276 | 1/20 | 0.61 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | P2RX1 | P51575 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.42 |
| ▸ | BDKRB1 | P46663 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.41 |
| ▸ | HSD17B14 | Q9BPX1 | 4/20 | 0.40 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28807718 | 0.92 | ALB (0.72) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL8181156 | 0.91 | ALB (0.56) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL3440833 | 0.89 | CES2 (0.74) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL5613020 | 0.83 | CES2 (0.65) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL8181848 | 0.82 | CES2 (0.59) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL3111227 | 0.82 | CES2 (0.63) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL8176779 | 0.81 | CES2 (0.49) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL8169046 | 0.80 | CES2 (0.47) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL6441124 | 0.79 | CES2 (0.71) | ALBCES2CES1BCHEHPGD | |
| SCHEMBL31537534 | 0.79 | CES2 (0.71) | ALBCES2CES1BCHEHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000063176-A2 | DISUBSTITUTED PYRIDINES AND PYRIMIDINES AS HERBICIDES AND FUNGICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 2000-10-26 | — | — | WO | disclosed |