Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | AGER | Q15109 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6971070 | 0.88 | AGTR1 (0.40) | ALDH1A1AGTR1AGTR2LMNACNR1 | |
| SCHEMBL9367623 | 0.70 | AGTR1 (0.38) | ALDH1A1AGTR1AGTR2LMNACNR1 | |
| Hexane SCHEMBL20638505 | 0.66 | ALDH1A1 (0.80) | ALDH1A1LMNATSHR | |
| Acetic Acid Butyl Ester SCHEMBL10618702 | 0.64 | ALDH1A1 (0.95) | ALDH1A1LMNATSHRL3MBTL1 | |
| Heptane SCHEMBL6963689 | 0.64 | ALDH1A1 (0.76) | ALDH1A1LMNATSHR | |
| Acetic Acid Butyl Ester SCHEMBL25225804 | 0.64 | — | — | |
| SCHEMBL19291196 | 0.64 | THRA (0.55) | ALDH1A1LMNA | |
| SCHEMBL4252573 | 0.64 | THRA (0.55) | ALDH1A1LMNA | |
| Acetic Acid Butyl Ester SCHEMBL9788282 | 0.62 | ALDH1A1 (0.90) | ALDH1A1LMNATSHRL3MBTL1 | |
| Acetic Acid Butyl Ester SCHEMBL1350194 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5929249-A | ANGIOTENSIN II RECEPTOR ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 1999-07-27 | — | — | US | disclosed |
| US-5728842-A | ANGIOTENSIN II RECEPTOR ANTAGONIST | SMITHKLINE BEECHAM CORPORATION (US) | 1998-03-17 | — | — | US | disclosed |
| WO-1994000120-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-01-06 | — | — | WO | disclosed |