Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TGFBR1 | P36897 | 7/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | THPO | P40225 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.39 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | NISCH | Q9Y2I1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | FLT3 | P36888 | 1/20 | 0.35 |
| ▸ | TDO2 | P48775 | 1/20 | 0.35 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.35 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.35 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| SCHEMBL28182976 | 0.86 | FLT3 (0.44) | TGFBR1MAPK14ADORA2AMEN1MAPT | |
| SCHEMBL28182113 | 0.83 | TGFBR1 (0.51) | TGFBR1MAPK14ADORA2ATDO2 | |
| SCHEMBL18042102 | 0.78 | TGFBR1 (0.62) | TGFBR1CYP3A4CYP1A2LMNAMAPK14 | |
| SCHEMBL30568888 | 0.75 | TGFBR1 (0.54) | TGFBR1CYP3A4MAP4K4FLT3CYP17A1 | |
| SCHEMBL28182115 | 0.74 | MAPT (0.43) | TGFBR1CYP3A4LMNAMAPK14KDM4E | |
| SCHEMBL4035268 | 0.74 | TGFBR1 (0.60) | TGFBR1MAPK14 | |
| SCHEMBL4030553 | 0.74 | TGFBR1 (0.67) | TGFBR1MAPK14 | |
| SCHEMBL2092341 | 0.70 | ADORA2A (0.46) | CYP3A4CYP1A2THPOLMNAPMP22 | |
| SCHEMBL7947668 | 0.70 | CYP1A2 (0.48) | CYP3A4CYP1A2THPOLMNAPMP22 | |
| SCHEMBL2092339 | 0.70 | KDM4E (0.42) | CYP3A4CYP1A2THPOLMNAPMP22 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107406412-A | TGF beta inhibitors | 里格尔药品股份有限公司 | 2017-11-28 | — | — | CN | claimed |
| CN-107406412-A | TGF beta inhibitors | 里格尔药品股份有限公司 | 2017-11-28 | — | — | CN | disclosed |