Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 5/20 | 0.60 |
| ▸ | CES1 | P23141 | 5/20 | 0.60 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 5/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | RAB9A | P51151 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7701390 | 1.00 | CES2 (0.60) | CES2CES1AKR1C3MAPTALDH1A1 | |
| SCHEMBL351852 | 0.89 | AKR1C3 (0.67) | CES2CES1AKR1C3MAPTALDH1A1 | |
| SCHEMBL6064618 | 0.89 | AKR1C3 (0.67) | CES2CES1AKR1C3MAPTALDH1A1 | |
| SCHEMBL11407221 | 0.89 | AKR1C3 (0.67) | CES2CES1AKR1C3MAPTALDH1A1 | |
| SCHEMBL14033873 | 0.87 | AKR1C3 (0.55) | CES2CES1AKR1C3MAPTALDH1A1 | |
| SCHEMBL20415255 | 0.84 | CES2 (0.58) | CES2CES1AKR1C3MAPTALDH1A1 | |
| SCHEMBL14097974 | 0.83 | ALDH1A1 (0.70) | CES2CES1MAPTALDH1A1CYP3A4 | |
| SCHEMBL30889666 | 0.81 | AKR1C3 (0.53) | AKR1C3MAPTALDH1A1HPGDNPC1 | |
| SCHEMBL27923703 | 0.79 | CES2 (0.51) | CES2CES1MAPTALDH1A1CYP3A4 | |
| SCHEMBL1920235 | 0.79 | AKR1C3 (0.69) | AKR1C3MAPTALDH1A1CYP3A4HPGD |
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-2002066443-A2 | 2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE DERIVATIVES | ONO PHARMACEUTICAL CO., LTD. (JP) | 2002-08-29 | — | — | WO | disclosed |