Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 3/20 | 0.58 |
| ▸ | CYP11B2 | P19099 | 3/20 | 0.58 |
| ▸ | TNF | P01375 | 1/20 | 0.57 |
| ▸ | IDO1 | P14902 | 9/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.55 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA7 | P43166 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.52 |
| ▸ | CDYL2 | Q8N8U2 | 1/20 | 0.50 |
| ▸ | CDYL | Q9Y232 | 1/20 | 0.50 |
| ▸ | CDY1; CDY1B | Q9Y6F8 | 1/20 | 0.50 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2885662 | 0.85 | CYP11B1 (0.67) | CYP11B1CYP11B2TNFIDO1ALDH1A1 | |
| SCHEMBL7668846 | 0.81 | CYP11B1 (0.53) | CYP11B1CYP11B2TNFIDO1ALDH1A1 | |
| SCHEMBL13085846 | 0.81 | IDO1 (0.64) | CYP11B1CYP11B2TNFIDO1ALDH1A1 | |
| SCHEMBL6950593 | 0.79 | FEN1 (0.57) | HDAC1HDAC6PTPN1SMN1; SMN2 | |
| SCHEMBL7667737 | 0.79 | GRM2 (0.57) | ALDH1A1PTPN1LMNASMN1; SMN2 | |
| SCHEMBL31722842 | 0.78 | CYP11B1 (0.80) | CYP11B1CYP11B2TNFIDO1ALDH1A1 | |
| SCHEMBL3177643 | 0.78 | CYP11B1 (0.80) | CYP11B1CYP11B2TNFIDO1ALDH1A1 | |
| SCHEMBL9303119 | 0.77 | FAAH (0.60) | CYP11B1CYP11B2IDO1ALDH1A1HDAC1 | |
| SCHEMBL9302980 | 0.77 | CYP11B1 (0.62) | CYP11B1CYP11B2TNFIDO1ALDH1A1 | |
| SCHEMBL230002 | 0.75 | CYP11B1 (1.00) | CYP11B1CYP11B2TNFALDH1A1HDAC1 |
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-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | claimed |
| US-6380249-B1 | HIV integrase inhibitors | MERCK & CO., INC. | 2002-04-30 | — | — | US | disclosed |