Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.38 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.38 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.38 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.38 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.38 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.38 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.38 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.38 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 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 | |
|---|---|---|---|---|
| SCHEMBL4433608 | 0.87 | P2RX7 (0.40) | HDAC8P2RX7MRGPRX4PDE2ACYP3A4 | |
| SCHEMBL4440442 | 0.82 | KCNN4 (0.38) | P2RX7PDE2ACYP3A4 | |
| SCHEMBL4433937 | 0.77 | NR1I2 (0.38) | P2RX7CYP3A4CYP2C9 | |
| SCHEMBL4430282 | 0.77 | PDE10A (0.46) | ALDH1A1L3MBTL1MEN1KMT2AP2RX7 | |
| SCHEMBL4432452 | 0.77 | P2RX7 (0.40) | MEN1KMT2AP2RX7MRGPRX4CYP3A4 | |
| SCHEMBL4429753 | 0.76 | P2RX7 (0.43) | P2RX7TRPV1CYP3A4 | |
| SCHEMBL4435328 | 0.76 | TRPV1 (0.39) | P2RX7TRPV1 | |
| SCHEMBL4433610 | 0.76 | CNR1 (0.37) | MEN1KMT2AP2RX7MRGPRX4 | |
| SCHEMBL4428091 | 0.75 | P2RX7 (0.38) | HDAC3HDAC1HDAC2HDAC6P2RX7 | |
| SCHEMBL4440473 | 0.75 | HDAC4 (0.43) | HDAC4HDAC7HDAC5P2RX7CYP3A4 |
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-2114867-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. Hoffmann-Roche AG (CH) | 2009-11-11 | — | — | EP | disclosed |
| WO-2008107335-A1 | AMINOAMIDES AS OREXIN ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-12 | — | — | WO | disclosed |