Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.40 |
| ▸ | BAD | Q92934 | 1/20 | 0.40 |
| ▸ | TYMS | P04818 | 1/20 | 0.36 |
| ▸ | PNMT | P11086 | 5/20 | 0.35 |
| ▸ | CDK4 | P11802 | 1/20 | 0.33 |
| ▸ | CCND1 | P24385 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NQO1 | P15559 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL28840503 | 0.79 | KIF11 (0.47) | KIF11BCL2L1BADTYMSPNMT | |
| SCHEMBL28802239 | 0.76 | PNMT (0.58) | KIF11BCL2L1BADPNMTCDK4 | |
| SCHEMBL4660547 | 0.76 | HPRT1 (0.52) | KIF11CYP2A6TSHRNQO1ALDH1A1 | |
| SCHEMBL21176632 | 0.74 | HPRT1 (0.54) | KIF11CYP2A6TSHRNQO1ALDH1A1 | |
| SCHEMBL30928215 | 0.74 | HPRT1 (0.54) | KIF11CYP2A6TSHRNQO1ALDH1A1 | |
| SCHEMBL2089665 | 0.74 | HPRT1 (0.54) | KIF11CYP2A6TSHRNQO1ALDH1A1 | |
| Water SCHEMBL28388195 | 0.73 | HPRT1 (0.52) | KIF11CYP2A6TSHRNQO1ALDH1A1 | |
| SCHEMBL31490440 | 0.73 | HPRT1 (0.52) | KIF11CYP2A6TSHRNQO1ALDH1A1 | |
| SCHEMBL30329691 | 0.73 | HPRT1 (0.52) | KIF11CYP2A6TSHRNQO1ALDH1A1 | |
| SCHEMBL29152149 | 0.71 | HPRT1 (0.50) | KIF11CYP2A6TSHRNQO1ALDH1A1 |
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-106999495-A | Combination of TLR inhibitor and bruton's tyrosine kinase inhibitor | 药品循环有限责任公司 | 2017-08-01 | — | — | CN | claimed |
| CN-106999495-A | Combination of TLR inhibitor and bruton's tyrosine kinase inhibitor | 药品循环有限责任公司 | 2017-08-01 | — | — | CN | disclosed |