Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 13/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | TOP2A | P11388 | 1/20 | 0.41 |
| ▸ | TOP2B | Q02880 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30373758 | 0.74 | NISCH (1.00) | NISCHCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL1345182 | 0.74 | NISCH (1.00) | NISCHCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL548286 | 0.73 | NISCH (0.55) | NISCHCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL10507263 | 0.71 | NISCH (1.00) | NISCHLMNARECQLTOP2ATOP2B | |
| SCHEMBL30595872 | 0.71 | HSP90AA1 (0.52) | CYP1A2KDM4ECYP2D6LMNA | |
| SCHEMBL2814353 | 0.71 | HSP90AA1 (0.52) | CYP1A2KDM4ECYP2D6LMNA | |
| SCHEMBL4110363 | 0.71 | NISCH (1.00) | NISCHCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL4726421 | 0.70 | NISCH (0.56) | NISCHCYP1A2KDM4EALDH1A1CYP3A4 | |
| SCHEMBL19920890 | 0.69 | CCNT1 (0.36) | CYP2D6 | |
| SCHEMBL13910999 | 0.69 | HSP90AA1 (0.50) | CYP2D6 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1829509-A | Pharmaceutical composition for treating tumors | COMBINATORX INC (US) | 2006-09-06 | — | — | CN | claimed |
| CN-1681511-A | Combinations of drugs for the treatment of neoplasms | COMBINATORX INC (US) | 2005-10-12 | — | — | CN | claimed |
| CN-1878556-A | Combinations of drugs for the treatment of neoplasms | COMBINATORX INC (US) | 2006-12-13 | — | — | CN | disclosed |
| CN-1681511-A | Combinations of drugs for the treatment of neoplasms | COMBINATORX INC (US) | 2005-10-12 | — | — | CN | disclosed |