Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 4/20 | 0.64 |
| ▸ | GRM4 | Q14833 | 12/20 | 0.61 |
| ▸ | RAB9A | P51151 | 3/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.61 |
| ▸ | MAPT | P10636 | 2/20 | 0.61 |
| ▸ | MEN1 | O00255 | 1/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.61 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.61 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.54 |
| ▸ | NPC1 | O15118 | 2/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.51 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.51 |
| ▸ | RELA | Q04206 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL6816161 | 0.84 | TP53 (0.58) | KDRRAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL7173880 | 0.82 | KDR (0.51) | KDRGRM4RAB9ASMN1; SMN2MAPT | |
| SCHEMBL6814500 | 0.81 | DHODH (0.56) | GRM4RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL7173085 | 0.81 | KDR (0.64) | KDRGRM4RAB9ASMN1; SMN2MAPT | |
| SCHEMBL6816080 | 0.81 | NPC1 (0.58) | GRM4RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL6811259 | 0.80 | ALDH1A1 (0.58) | SMN1; SMN2MAPTMEN1ALDH1A1GAA | |
| SCHEMBL6816164 | 0.79 | MAPT (0.52) | RAB9ASMN1; SMN2MAPTMEN1ALDH1A1 | |
| SCHEMBL7178922 | 0.77 | GRM4 (0.86) | KDRGRM4RAB9ASMN1; SMN2MAPT | |
| SCHEMBL6278943 | 0.77 | GRM4 (1.00) | GRM4RAB9ASMN1; SMN2MAPTMEN1 | |
| SCHEMBL6815283 | 0.77 | ALDH1A1 (0.55) | SMN1; SMN2MAPTMEN1ALDH1A1GAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6555561-B2 | N-(5-((((5-Chloro-2,4-dimethoxyphenyl)amino)thioxomethyl)-amino)-2 -pyridinyl)-2-methylbenzamide, for example; inhibiting replication of a herpes virus | WYETH | 2003-04-29 | — | — | US | disclosed |