Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 9/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CTSK | P43235 | 2/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.53 |
| ▸ | CA2 | P00918 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | BTK | Q06187 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PIM3 | Q86V86 | 1/20 | 0.40 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL20633699 | 0.86 | HSD11B1 (0.55) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL14277690 | 0.86 | HSD11B1 (0.57) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL4760623 | 0.86 | HSD11B1 (0.57) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL16621799 | 0.86 | HSD11B1 (0.57) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL10288446 | 0.86 | HSD11B1 (0.57) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL5743984 | 0.86 | HSD11B1 (0.57) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL11890338 | 0.85 | HSD11B1 (0.56) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL11890331 | 0.85 | HSD11B1 (0.56) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL26814988 | 0.85 | HSD11B1 (0.56) | HSD11B1CYP2C9CTSKCA1CA2 | |
| SCHEMBL11890337 | 0.85 | HSD11B1 (0.56) | HSD11B1CYP2C9CTSKCA1CA2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011015241-A1 | CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS | POLYPHOR AG (CH) | 2011-02-10 | — | — | WO | disclosed |