Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | MMP2 | P08253 | 2/20 | 0.39 |
| ▸ | MMP9 | P14780 | 2/20 | 0.39 |
| ▸ | MMP12 | P39900 | 2/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | ATM | Q13315 | 2/20 | 0.37 |
| ▸ | GLS | O94925 | 3/20 | 0.36 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL12419024 | 0.77 | CA12 (0.55) | CA12CA1CA2CA4CA7 | |
| SCHEMBL171971 | 0.77 | CA12 (0.47) | CA12CA1CA2CA4CA7 | |
| SCHEMBL28209919 | 0.76 | AKR1B1 (0.57) | CA12CA2CA9ATMKDM4E | |
| SCHEMBL10585673 | 0.73 | CA12 (0.50) | CA12CA1CA2CA4CA7 | |
| SCHEMBL19751948 | 0.72 | ATM (0.65) | MEN1KMT2AATMGLSHPGD | |
| SCHEMBL11274784 | 0.72 | GLS (0.39) | GLSLMNASMN1; SMN2 | |
| SCHEMBL19751892 | 0.71 | POLQ (0.52) | KMT2AHPGDCYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL3110101 | 0.70 | CA12 (0.51) | CA12CA1CA2CA4CA7 | |
| SCHEMBL8013439 | 0.70 | MEN1 (0.61) | MEN1KMT2ALMNAHPGDKDM4E | |
| SCHEMBL7509868 | 0.69 | CA12 (0.46) | CA12CA1CA2CA4CA7 |
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-4329363-A | Substituted mercapto acid amides and their use | MERCK & CO., INC. (US) | 1982-05-11 | — | — | US | disclosed |
| US-4216160-A | IMMUNOREGULANTS FOR CORRECTING AN INBALANCE OF IMMUNE HOMEOSTASIS | MERCK & CO., INC. (US) | 1980-08-05 | — | — | US | disclosed |
| EP-0001989-A1 | Substituted mercapto acid amides, process for their preparation, pharmaceutical composition containing same and their use | MERCK & CO. INC. (US) | 1979-05-30 | — | — | EP | disclosed |