Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | P4HA1 | P13674 | 2/20 | 0.38 |
| ▸ | P4HTM | Q9NXG6 | 2/20 | 0.38 |
| ▸ | AKT1 | P31749 | 1/20 | 0.38 |
| ▸ | AKT2 | P31751 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.38 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | APEX1 | P27695 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | ROCK2 | O75116 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.37 |
| ▸ | MIF | P14174 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL29864 | 1.00 | — | — | |
| SCHEMBL28043440 | 0.98 | — | — | |
| Water SCHEMBL29955863 | 0.98 | — | — | |
| Fluoride SCHEMBL14830353 | 0.98 | — | — | |
| Formaldehyde SCHEMBL15128928 | 0.95 | ALDH1A1 (0.41) | ALDH1A1HTTHCAR2TP53TSHR | |
| Fluoromethane SCHEMBL28100324 | 0.93 | ALDH1A1 (0.44) | ALDH1A1HTTHCAR2TP53TSHR | |
| Methylamine SCHEMBL27945137 | 0.93 | NOS2 (0.41) | ALDH1A1HTTHCAR2TP53TSHR | |
| Formic Acid SCHEMBL28287318 | 0.91 | ALDH1A1 (0.39) | ALDH1A1HTTHCAR2TP53TSHR | |
| Trimethylammonium SCHEMBL27558428 | 0.91 | ALDH1A1 (0.44) | ALDH1A1HTTHCAR2KCNH2NOTUM | |
| Formamide SCHEMBL28186344 | 0.89 | ALDH1A1 (0.38) | ALDH1A1HTTHCAR2P4HA1P4HTM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2448941-A2 | PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS | Genentech, Inc. (US) | 2012-05-09 | — | — | EP | disclosed |
| WO-2011003065-A2 | PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS | GENENTECH, INC. (US) | 2011-01-06 | — | — | WO | disclosed |