Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | EPHX1 | P07099 | 7/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS1 | P29475 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | PPARG | P37231 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | XIAP | P98170 | 1/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9854860 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL9855072 | 1.00 | ALDH1A1 (0.49) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL7540831 | 0.86 | CYP2C19 (0.63) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL6135598 | 0.83 | EPHX1 (0.40) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| Ethylamine SCHEMBL11235220 | 0.82 | CYP2C19 (0.63) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL727061 | 0.81 | TSHR (0.53) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL1855157 | 0.80 | CYP1A2 (0.53) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL8896704 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL7050743 | 0.79 | POLB (0.51) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 | |
| SCHEMBL17633862 | 0.77 | POLB (0.51) | ALDH1A1CYP2C19POLBCYP2C9SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5071843-A | Thienamycin antibiotics with delayed metabolism | MERCK & CO., INC. (US) | 1991-12-10 | — | — | US | disclosed |
| EP-0161546-B1 | COMBINATION OF 2-SUBSTITUTED CARBAPENEMS WITH DIPEPTIDASE INHIBITORS | MERCK & CO. INC. (US) | 1989-12-13 | — | — | EP | disclosed |
| EP-0161546-A1 | Combination of 2-substituted carbapenems with dipeptidase inhibitors | MERCK & CO. INC. (US) | 1985-11-21 | — | — | EP | disclosed |