Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | C3AR1 | Q16581 | 2/20 | 0.36 |
| ▸ | FBP1 | P09467 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.32 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.32 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL27784102 | 1.00 | C3AR1 (0.36) | C3AR1FBP1HDAC1HDAC8HDAC6 | |
| SCHEMBL28787203 | 1.00 | C3AR1 (0.36) | C3AR1FBP1HDAC1HDAC8HDAC6 | |
| SCHEMBL27979112 | 0.87 | C3AR1 (0.35) | C3AR1FBP1HDAC1HDAC8HDAC6 | |
| SCHEMBL3586133 | 0.82 | C3AR1 (0.36) | C3AR1FBP1HDAC1HDAC8HDAC6 | |
| SCHEMBL15214453 | 0.75 | C3AR1 (0.43) | C3AR1HDAC1HDAC8HDAC6LMNA | |
| SCHEMBL27805940 | 0.74 | POLB (0.31) | LMNAKMT2A | |
| SCHEMBL27805945 | 0.74 | ABCB1 (0.41) | HDAC1HDAC8HDAC6LMNAKMT2A | |
| SCHEMBL27805943 | 0.74 | ABCB1 (0.41) | HDAC1HDAC8HDAC6LMNAKMT2A | |
| SCHEMBL27805944 | 0.74 | POLB (0.31) | LMNAKMT2A | |
| SCHEMBL800492 | 0.72 | KMT2A (0.49) | C3AR1LMNAKMT2A |
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-101768130-B | Derivatives containing aminomethyl-5-membered aromatic heterocycle-4-carboxylic acid, preparation method, drug combination and application thereof | TIANJIN INST PHARM RESEARCH | 2012-07-04 | — | — | CN | disclosed |
| CN-101768130-A | Derivatives containing aminomethyl-5-membered aromatic heterocycle-4-carboxylic acid, preparation method, drug combination and application thereof | TIANJIN INST PHARM RESEARCH | 2010-07-07 | — | — | CN | disclosed |