Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.47 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.43 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.41 |
| ▸ | LDHA | P00338 | 2/20 | 0.39 |
| ▸ | LDHB | P07195 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | UHRF1 | Q96T88 | 1/20 | 0.38 |
| ▸ | DHODH | Q02127 | 2/20 | 0.38 |
| ▸ | PRKAB2 | O43741 | 1/20 | 0.38 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.38 |
| ▸ | PRKAA2 | P54646 | 1/20 | 0.38 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.38 |
| ▸ | PRKAG3 | Q9UGI9 | 1/20 | 0.38 |
| ▸ | PRKAG2 | Q9UGJ0 | 1/20 | 0.38 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.38 |
| ▸ | ALPL | P05186 | 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 | |
|---|---|---|---|---|
| SCHEMBL18493974 | 0.80 | CYP3A4 (0.42) | MCL1SMN1; SMN2LDHALDHBALDH1A1 | |
| SCHEMBL27624730 | 0.78 | MCL1 (0.45) | MCL1AKR1C2AKR1C1SMN1; SMN2AKR1C3 | |
| SCHEMBL10410493 | 0.77 | MCL1 (0.47) | MCL1AKR1C2AKR1C1SMN1; SMN2AKR1C3 | |
| SCHEMBL628517 | 0.75 | MYC (0.51) | MCL1AKR1C2AKR1C1AKR1C3LDHA | |
| SCHEMBL18493977 | 0.75 | HPGD (0.39) | MCL1SMN1; SMN2LDHALDHBALDH1A1 | |
| SCHEMBL27514456 | 0.74 | DHODH (0.43) | MCL1ALDH1A1NOTUMDHODH | |
| SCHEMBL537616 | 0.74 | CYP3A4 (0.47) | SMN1; SMN2CSNK2A1LDHALDHBALDH1A1 | |
| SCHEMBL3030086 | 0.74 | CYP3A4 (0.47) | SMN1; SMN2CSNK2A1LDHALDHBALDH1A1 | |
| SCHEMBL29927238 | 0.74 | CYP3A4 (0.47) | SMN1; SMN2CSNK2A1LDHALDHBALDH1A1 | |
| SCHEMBL6193196 | 0.74 | FABP4 (0.47) | MCL1AKR1C2AKR1C1AKR1C3LDHA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5356889-A | Carbapenicillins | MERCK & CO., INC. (US) | 1994-10-18 | — | — | US | disclosed |
| US-5144028-A | Antibiotics | MERCK & CO., INC. (US) | 1992-09-01 | — | — | US | disclosed |
| EP-0472306-A1 | 2-(9-fluorenonyl)-carbapenem antibacterial agents | MERCK & CO. INC. (US) | 1992-02-26 | — | — | EP | disclosed |
| US-5034384-A | Bactericides, antibiotics for resistant bacteria | MERCK & CO., INC. (US) | 1991-07-23 | — | — | US | disclosed |