Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 3/20 | 0.34 |
| ▸ | MMP1 | P03956 | 2/20 | 0.34 |
| ▸ | MMP9 | P14780 | 2/20 | 0.34 |
| ▸ | MMP13 | P45452 | 2/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 3/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.33 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.32 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.32 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.32 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.32 |
| ▸ | ACVR1 | Q04771 | 1/20 | 0.32 |
| ▸ | HRH2 | P25021 | 1/20 | 0.32 |
| ▸ | HRH1 | P35367 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | F11 | P03951 | 2/20 | 0.31 |
| ▸ | KLKB1 | P03952 | 2/20 | 0.31 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7522003 | 0.67 | MMP2 (0.41) | MMP2MMP9MMP13HRH1 | |
| SCHEMBL23337994 | 0.66 | MMP2 (0.50) | MMP2MMP1MMP9MMP13 | |
| SCHEMBL19258882 | 0.65 | PARP1 (0.41) | HTTPARP1 | |
| Trifluoroacetic Acid SCHEMBL3635857 | 0.64 | HRH3 (0.54) | HRH4HRH3HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL5473632 | 0.63 | HRH4 (0.36) | HRH4HRH3L3MBTL1 | |
| Trifluoroacetic Acid SCHEMBL30185834 | 0.63 | CA2 (0.38) | HRH4HRH3ACVR1HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL30185835 | 0.63 | CA2 (0.38) | HRH4HRH3ACVR1HRH2HRH1 | |
| Trifluoroacetic Acid SCHEMBL23925848 | 0.63 | CA2 (0.38) | HRH4HRH3ACVR1HRH2HRH1 | |
| SCHEMBL3635860 | 0.63 | KMT2A (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL3872678 | 0.63 | TAAR1 (0.44) | HRH3HDAC3HDAC4HDAC6L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101790313-A | Compound (I) | SMITHKLINE BEECHAM CORP | 2010-07-28 | — | — | CN | disclosed |