Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.59 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | PDK1 | Q15118 | 6/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | ERN1 | O75460 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL355700 | 0.93 | HSP90AA1 (0.67) | HSP90AA1HSP90AB1TSHRPDK1ERN1 | |
| SCHEMBL29524547 | 0.86 | TSHR (0.68) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| SCHEMBL2649150 | 0.86 | TSHR (0.68) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| SCHEMBL184485 | 0.86 | TSHR (0.68) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| Water SCHEMBL1984247 | 0.84 | TSHR (0.65) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| Water SCHEMBL1984245 | 0.84 | TSHR (0.65) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| Hydrochloric Acid SCHEMBL11158583 | 0.84 | TSHR (0.65) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| Hydrazine SCHEMBL27542387 | 0.82 | TSHR (0.63) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| Cyclohexane SCHEMBL1356517 | 0.80 | TSHR (0.61) | HSP90AA1HSP90AB1TSHRCA2KDM4E | |
| SCHEMBL1018079 | 0.79 | TSHR (0.53) | HSP90AA1HSP90AB1TSHRPOLBPDK1 |
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-2005023762-A1 | PYRROLIDINE-2-CARBONITRILE DERIVATIVES AND THEIR USE AS INHIBITORS OF DIPEPTIDYL PEPTIDASE-IV (DPP-IV) | ABBOTT LABORATORIES (US) | 2005-03-17 | — | — | WO | disclosed |