Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSK | P43235 | 9/20 | 0.44 |
| ▸ | CTSS | P25774 | 8/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.42 |
| ▸ | CTSB | P07858 | 1/20 | 0.42 |
| ▸ | PPARA | Q07869 | 5/20 | 0.40 |
| ▸ | PPARG | P37231 | 4/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.40 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.40 |
| ▸ | ACE | P12821 | 1/20 | 0.39 |
| ▸ | PPARD | Q03181 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL939477 | 0.91 | CTSS (0.50) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL305190 | 0.91 | CTSS (0.50) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL755894 | 0.91 | CTSS (0.50) | CTSKCTSSCTSLCTSBPPARA | |
| SCHEMBL17448430 | 0.81 | CTSK (0.47) | CTSKCTSSCTSLCTSB | |
| SCHEMBL15557794 | 0.81 | CTSK (0.47) | CTSKCTSSCTSLCTSB | |
| SCHEMBL3866082 | 0.81 | CTSK (0.47) | CTSKCTSSCTSLCTSB | |
| SCHEMBL15582702 | 0.80 | CTSS (0.48) | CTSKCTSSCTSLCTSB | |
| SCHEMBL16000767 | 0.79 | CTSK (0.47) | CTSKCTSSCTSLCTSB | |
| SCHEMBL12973256 | 0.79 | CTSK (0.47) | CTSKCTSSCTSLCTSB | |
| SCHEMBL1688920 | 0.79 | CTSK (0.47) | CTSKCTSSCTSLCTSB |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0610451-A1 | ETHYNYL ALANINE AMINO DIOL COMPOUNDS FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1994-08-17 | — | — | EP | disclosed |
| WO-1994004495-A1 | PIPERIDINYL-TERMINATED N-(DIHYDROXY ALKYL)-ETHYNYL-ALANINE AMIDES FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1994-03-03 | — | — | WO | disclosed |
| WO-1994004536-A1 | ETHYNYL ALANINE AMINO DIOL COMPOUNDS HAVING A PIPERAZINYL-TERMINATED GROUP OR A PIPERAZINYL-ALKYLAMINO-TERMINATED GROUP FOR TREATMENT OF HYPERTENSION | G.D. SEARLE & CO. (US) | 1994-03-03 | — | — | WO | disclosed |