Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 7/20 | 0.36 |
| ▸ | CTSS | P25774 | 4/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | CTSL | P07711 | 1/20 | 0.33 |
| ▸ | CTSB | P07858 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 3/20 | 0.32 |
| ▸ | PPARA | Q07869 | 3/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29808921 | 0.80 | CA1 (0.36) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9809001 | 0.79 | SMN1; SMN2 (0.39) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL11187682 | 0.77 | TDP1 (0.40) | CTSKCTSSCA2CTSLCTSB | |
| SCHEMBL27546163 | 0.77 | TDP1 (0.40) | CTSKCTSSCA2CTSLCTSB | |
| SCHEMBL10586047 | 0.77 | SLC15A1 (0.39) | CYP1A2CYP2C19 | |
| SCHEMBL9809033 | 0.75 | CYP1A2 (0.49) | CTSKCTSSCYP1A2CYP2C9CYP2C19 | |
| SCHEMBL4789599 | 0.74 | CA2 (0.37) | CTSKCTSSCA2CTSLCTSB | |
| SCHEMBL29822881 | 0.74 | CTSK (0.46) | CTSKCTSSCA2MAOAMAOB | |
| SCHEMBL7163456 | 0.74 | CTSK (0.46) | CTSKCTSSCA2CTSLCTSB | |
| SCHEMBL31525047 | 0.74 | CTSK (0.46) | CTSKCTSSCA2CTSLCTSB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0322633-B1 | MERCAPTO-ACYLAMINO ACID ANTIHYPERTENSIVES | SCHERING CORPORATION (US) | 1991-05-22 | — | — | EP | disclosed |