Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.50 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.50 |
| ▸ | MAOB | P27338 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 1/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | NAMPT | P43490 | 1/20 | 0.48 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | MLYCD | O95822 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9314230 | 0.92 | MLYCD (0.52) | NPC1RAB9AMAPK1CYP1A2TSHR | |
| SCHEMBL3523157 | 0.88 | MAPK1 (0.61) | NPC1RAB9AMAPK1CYP1A2TSHR | |
| SCHEMBL22488360 | 0.87 | HDAC3 (0.58) | NPC1RAB9AMAPK1CYP1A2TSHR | |
| SCHEMBL12960847 | 0.86 | MAPK1 (0.65) | NPC1RAB9AMAPK1CYP1A2TSHR | |
| SCHEMBL26709560 | 0.86 | MAPK1 (0.65) | NPC1RAB9AMAPK1CYP1A2TSHR | |
| SCHEMBL13857082 | 0.84 | HDAC3 (0.61) | NPC1RAB9AMAPK1CYP1A2TSHR | |
| SCHEMBL14159023 | 0.82 | CYP1A2 (0.63) | NPC1RAB9AMAPK1CYP1A2TSHR | |
| SCHEMBL27996132 | 0.82 | HDAC1 (0.60) | NPC1RAB9AMAPK1NAMPTHDAC3 | |
| SCHEMBL28362105 | 0.82 | HDAC1 (0.60) | NPC1RAB9AMAPK1NAMPTHDAC3 | |
| SCHEMBL8024332 | 0.81 | MAPK1 (0.54) | NPC1RAB9AMAPK1CYP1A2TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-5280015-A | 2-substituted adenosines and 2-substituted adenosine 5'-carboxamides | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1994-01-18 | — | — | US | disclosed |