Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 5/20 | 0.41 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | AHR | P35869 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7837513 | 0.92 | NPC1 (0.38) | ABCB1GPR139HSD17B10ALDH1A1CYP3A4 | |
| SCHEMBL6778100 | 0.86 | ITGB3 (0.42) | GPR139AHR | |
| SCHEMBL6778505 | 0.86 | HPGD (0.50) | HSD17B10HPGDLMNA | |
| SCHEMBL6778010 | 0.83 | GPR139 (0.49) | GPR139ALDH1A1SMN1; SMN2HPGDHTT | |
| SCHEMBL7347036 | 0.83 | HPGD (0.42) | GPR139ALDH1A1SMN1; SMN2HPGDLMNA | |
| SCHEMBL6778268 | 0.80 | GPR139 (0.44) | GPR139 | |
| SCHEMBL7823571 | 0.80 | ITGB1 (0.40) | GPR139HSD17B10CYP3A4HPGDLMNA | |
| SCHEMBL6775970 | 0.80 | GPR132 (0.49) | GPR139 | |
| SCHEMBL7834854 | 0.80 | GPR139 (0.42) | GPR139ALDH1A1SMN1; SMN2HPGDLMNA | |
| SCHEMBL3051751 | 0.79 | GPR139 (0.44) | GPR139 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0850221-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1998-07-01 | — | — | EP | claimed |
| WO-1997008145-A1 | META-GUANIDINE, UREA, THIOUREA OR AZACYCLIC AMINO BENZOIC ACID DERIVATIVES AS INTEGRIN ANTAGONISTS | G.D. SEARLE & CO. (US) | 1997-03-06 | — | — | WO | claimed |