Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | SENP1 | Q9P0U3 | 3/20 | 0.38 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | GRK2 | P25098 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL7340645 | 0.93 | ALDH1A1 (0.42) | ALDH1A1HTTHPGDMAPK1LMNA | |
| SCHEMBL7374315 | 0.87 | NAMPT (0.45) | HTTROCK2GRK2KMT2A | |
| SCHEMBL7349095 | 0.78 | KMT2A (0.40) | ALDH1A1RAB9ANPC1MITFKMT2A | |
| SCHEMBL7338453 | 0.77 | KMT2A (0.42) | HPGDLMNAMITFKMT2AITGB3 | |
| SCHEMBL7338423 | 0.75 | NAMPT (0.41) | ALDH1A1HTTHPGDLMNARAB9A | |
| SCHEMBL7341050 | 0.75 | ALDH1A1 (0.37) | ALDH1A1LMNARAB9ANPC1KMT2A | |
| SCHEMBL7341780 | 0.72 | TP53 (0.46) | ALDH1A1HTTHPGDMAPK1LMNA | |
| SCHEMBL7345087 | 0.71 | SMN1; SMN2 (0.38) | HTTKMT2AL3MBTL1ITGB3ITGB1 | |
| SCHEMBL7344066 | 0.70 | PPARG (0.42) | ALDH1A1HTTHPGDMAPK1LMNA | |
| SCHEMBL6776908 | 0.69 | MAPK1 (0.50) | ALDH1A1HTTHPGDMAPK1LMNA |
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 |