Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 5/20 | 0.54 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.54 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.54 |
| ▸ | FPR2 | P25090 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 4/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.51 |
| ▸ | CA12 | O43570 | 2/20 | 0.51 |
| ▸ | CA1 | P00915 | 2/20 | 0.51 |
| ▸ | CA2 | P00918 | 2/20 | 0.51 |
| ▸ | CA9 | Q16790 | 2/20 | 0.51 |
| ▸ | NPC1 | O15118 | 4/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NLRP3 | Q96P20 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19234900 | 0.84 | SLC7A5 (0.54) | CNR1HDAC1HDAC6FPR2MEN1 | |
| SCHEMBL19234894 | 0.84 | SLC7A5 (0.54) | CNR1HDAC1HDAC6FPR2MEN1 | |
| SCHEMBL10763436 | 0.82 | SLC6A4 (0.67) | SLC6A2 | |
| SCHEMBL20715480 | 0.82 | FPR2 (0.60) | CNR1HDAC1HDAC6FPR2MEN1 | |
| SCHEMBL4167790 | 0.80 | CNR1 (0.60) | CNR1HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL4741253 | 0.78 | MEN1 (0.76) | CNR1HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL11048619 | 0.78 | MEN1 (0.76) | CNR1HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL4121749 | 0.76 | RAB9A (0.67) | CNR1HDAC1HDAC6MEN1KMT2A | |
| SCHEMBL20397674 | 0.75 | ROCK2 (0.59) | CNR1HDAC1HDAC6FPR2NPC1 | |
| SCHEMBL1759807 | 0.74 | CNR1 (0.57) | CNR1HDAC1HDAC6MEN1KMT2A |
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-2499121-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS. | F. Hoffmann-La Roche AG (CH) | 2012-09-19 | — | — | EP | disclosed |
| WO-2011057973-A1 | OXAZOLINE DERIVATIVES FOR TREATMENT OF CNS DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2011-05-19 | — | — | WO | disclosed |