Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SRC | P12931 | 2/20 | 0.39 |
| ▸ | ZAP70 | P43403 | 2/20 | 0.39 |
| ▸ | SYK | P43405 | 2/20 | 0.39 |
| ▸ | CDK2 | P24941 | 1/20 | 0.39 |
| ▸ | NOS1 | P29475 | 1/20 | 0.36 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | CCR8 | P51685 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | SCD | O00767 | 1/20 | 0.31 |
| ▸ | MET | P08581 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL12460344 | 0.81 | CCR1 (0.58) | SRCZAP70SYKCDK2NOS1 | |
| SCHEMBL15633091 | 0.78 | CYP2C9 (0.40) | SRCZAP70SYKCDK2NOS1 | |
| SCHEMBL14298327 | 0.78 | SRC (0.39) | SRCZAP70SYKCDK2NOS1 | |
| SCHEMBL13676792 | 0.75 | — | — | |
| SCHEMBL20068615 | 0.72 | CCR1 (0.46) | CCR1CCR5CCR8HDAC6ALDH1A1 | |
| SCHEMBL10002194 | 0.72 | NOS1 (0.55) | SRCZAP70SYKCDK2NOS1 | |
| SCHEMBL12116515 | 0.72 | ALDH1A1 (0.58) | SRCZAP70SYKCDK2CCR1 | |
| SCHEMBL805859 | 0.70 | RAB9A (0.60) | ALDH1A1 | |
| SCHEMBL2147093 | 0.68 | DGAT1 (0.45) | SRCZAP70SYKCDK2KDR | |
| SCHEMBL20175446 | 0.67 | NOS1 (0.44) | SRCZAP70SYKCDK2NOS1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011090935-A1 | PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2011-07-28 | — | — | WO | disclosed |