Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | SRD5A2 | P31213 | 2/20 | 0.57 |
| ▸ | RXRA | P19793 | 2/20 | 0.55 |
| ▸ | RXRB | P28702 | 2/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KMO | O15229 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | MAP4K4 | O95819 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.46 |
| ▸ | ADH5 | P11766 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL3220340 | 0.91 | TSHR (0.55) | TSHRSRD5A2RXRARXRBALDH1A1 | |
| SCHEMBL3205630 | 0.91 | TSHR (0.55) | TSHRSRD5A2RXRARXRBALDH1A1 | |
| SCHEMBL3207912 | 0.91 | TSHR (0.55) | TSHRSRD5A2RXRARXRBALDH1A1 | |
| SCHEMBL3200062 | 0.90 | TSHR (0.59) | TSHRSRD5A2RXRARXRBALDH1A1 | |
| SCHEMBL3203802 | 0.89 | TSHR (0.53) | TSHRSRD5A2RXRARXRBALDH1A1 | |
| SCHEMBL3199834 | 0.89 | TSHR (0.53) | TSHRSRD5A2RXRARXRBALDH1A1 | |
| SCHEMBL29788156 | 0.89 | SRD5A2 (0.68) | TSHRSRD5A2RXRARXRBALOX15 | |
| SCHEMBL2050887 | 0.89 | SRD5A2 (0.68) | TSHRSRD5A2RXRARXRBALOX15 | |
| SCHEMBL3218450 | 0.88 | PRKAB2 (0.52) | TSHRSRD5A2RXRARXRBALDH1A1 | |
| SCHEMBL3217027 | 0.86 | PRKAB2 (0.51) | TSHRSRD5A2RXRARXRBALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1569954-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052921-A1 | CYANOMETHYL DERIVATIVES AS CYSTEINE PROTEASE INHIBITORS | AXYS PHARMACEUTICALS, INC. (US) | 2004-06-24 | — | — | WO | disclosed |