Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRD5A2 | P31213 | 4/20 | 0.72 |
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | ADH5 | P11766 | 2/20 | 0.60 |
| ▸ | RXRA | P19793 | 1/20 | 0.55 |
| ▸ | RXRB | P28702 | 1/20 | 0.55 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | CRHBP | P24387 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.49 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.49 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.48 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.47 |
| ▸ | TTR | P02766 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9812960 | 0.98 | SRD5A2 (0.70) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL23484575 | 0.92 | SRD5A2 (0.73) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL8082912 | 0.91 | SRD5A2 (0.61) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL2044221 | 0.90 | SRD5A2 (0.60) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL444367 | 0.89 | SRD5A2 (0.90) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL2769863 | 0.87 | TSHR (0.71) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL10717595 | 0.87 | SRD5A2 (0.66) | SRD5A2ADH5RXRARXRBHSD17B1 | |
| SCHEMBL3741905 | 0.85 | SRD5A2 (0.64) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL8144296 | 0.85 | SRD5A2 (0.64) | SRD5A2TSHRADH5RXRARXRB | |
| SCHEMBL3758566 | 0.85 | SRD5A2 (0.64) | SRD5A2TSHRADH5RXRARXRB |
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 5 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 |
| EP-0539243-B1 | Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof | HIRAI HIDEFUMI (JP) | 1996-01-24 | — | — | EP | disclosed |
| US-5319134-A | Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof | HIDEFUMI HIRAI (JP) | 1994-06-07 | — | — | US | disclosed |
| EP-0539243-A2 | Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof | Hirai, Hidefumi (JP) | 1993-04-28 | — | — | EP | disclosed |