Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | FYN | P06241 | 1/20 | 0.32 |
| ▸ | MAP4K1 | Q92918 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | NR3C1 | P04150 | 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 | |
|---|---|---|---|---|
| SCHEMBL17618612 | 0.92 | SMN1; SMN2 (0.40) | SMN1; SMN2CNR1FYNMAP4K1NPC1 | |
| SCHEMBL17618536 | 0.92 | SMN1; SMN2 (0.40) | SMN1; SMN2CNR1FYNMAP4K1NPC1 | |
| SCHEMBL19365381 | 0.92 | SMN1; SMN2 (0.40) | SMN1; SMN2CNR1FYNMAP4K1NPC1 | |
| SCHEMBL20633225 | 0.83 | BTK (0.34) | SMN1; SMN2CNR1MAP4K1POLBHDAC8 | |
| SCHEMBL20633001 | 0.81 | ITK (0.34) | SMN1; SMN2CNR1FYNMAP4K1 | |
| SCHEMBL20631815 | 0.81 | ITK (0.34) | SMN1; SMN2CNR1FYNMAP4K1 | |
| SCHEMBL20632386 | 0.81 | ITK (0.34) | SMN1; SMN2CNR1FYNMAP4K1 | |
| SCHEMBL20632143 | 0.81 | HRH3 (0.35) | SMN1; SMN2NPC1RAB9AUSP2TP53 | |
| SCHEMBL20631535 | 0.80 | CNR1 (0.38) | SMN1; SMN2CNR1MAP4K1 | |
| SCHEMBL20632037 | 0.80 | CNR1 (0.33) | SMN1; SMN2CNR1MAP4K1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2997029-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2019-01-09 | — | — | EP | disclosed |