Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | CES1 | P23141 | 2/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 5/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 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 | |
|---|---|---|---|---|
| SCHEMBL9681761 | 0.83 | ALDH1A1 (0.38) | CYP1A2ALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL2419442 | 0.81 | LMNA (0.53) | CES2CES1CHRM1CHRM3CHRM2 | |
| SCHEMBL28626716 | 0.81 | SMN1; SMN2 (0.41) | CES2CES1CHRM1CHRM3CHRM2 | |
| SCHEMBL2418494 | 0.80 | TSHR (0.51) | CES2CES1CHRM1CHRM3CHRM2 | |
| SCHEMBL28626193 | 0.80 | NPC1 (0.42) | CES2CES1CHRM1CHRM3CHRM2 | |
| SCHEMBL19086397 | 0.80 | CES2 (0.53) | CES2CES1CHRM1CHRM3CHRM2 | |
| SCHEMBL2417875 | 0.79 | TSHR (0.53) | CES2CES1CHRM1CHRM3CHRM2 | |
| SCHEMBL13523009 | 0.78 | MTNR1A (0.55) | CES2CES1ALDH1A1HPGD | |
| SCHEMBL280401 | 0.78 | MMP8 (0.56) | CES2CES1SMN1; SMN2KMT2A | |
| SCHEMBL26785147 | 0.77 | CES2 (0.47) | CES2CES1CHRM1CHRM3CHRM2 |
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 |
|---|---|---|---|---|---|---|---|
| US-4794108-A | BACTERICIDES, MICROBIOCIDES | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-12-27 | — | — | US | disclosed |
| EP-0135194-A1 | Azetidinones and their production | Takeda Chemical Industries, Ltd. (JP) | 1985-03-27 | — | — | EP | disclosed |