Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL9258089 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPTPTGS1TP53 | |
| SCHEMBL8608903 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPTPTGS1TP53 | |
| SCHEMBL9266439 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPTPTGS1TP53 | |
| SCHEMBL9825599 | 0.76 | ALDH1A1 (0.39) | ALDH1A1TSHRMAPTPTGS1TP53 | |
| SCHEMBL11670627 | 0.70 | ALDH1A1 (0.39) | ALDH1A1MAPTPTGS1TP53LMNA | |
| SCHEMBL25659030 | 0.70 | ALDH1A1 (0.33) | ALDH1A1MAPTPTGS1TP53HSD17B10 | |
| SCHEMBL20678819 | 0.68 | TSHR (0.53) | ALDH1A1TSHRTP53 | |
| SCHEMBL11173637 | 0.67 | ALDH1A1 (0.36) | ALDH1A1MAPTPTGS1TP53LMNA | |
| SCHEMBL1524780 | 0.66 | — | — | |
| SCHEMBL5086037 | 0.66 | TP53 (0.42) | ALDH1A1TP53LMNAHSD17B10KDM4E |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0536310-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-04-14 | — | — | EP | disclosed |
| EP-0536310-A4 | CHEMICAL COMPOUNDS. | SMITHKLINE BEECHAM CORP (US) | 1993-02-05 | — | — | EP | disclosed |
| WO-1992000279-A1 | CHEMICAL COMPOUNDS | SMITHKLINE BEECHAM CORPORATION (US) | 1992-01-09 | — | — | WO | disclosed |
| US-4996214-A | Respiratory systyem disorders | SMITHKLINE BEECHAM CORPORATION (US) | 1991-02-26 | — | — | US | disclosed |