Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | NPC1 | O15118 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | PPID | Q08752 | 2/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.36 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.36 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL15832176 | 0.86 | EPHX1 (0.46) | HDAC6EPHX1HDAC3RAB9ANPC1 | |
| SCHEMBL3085761 | 0.83 | HDAC6 (0.60) | HDAC6EPHX1HDAC3HDAC4HDAC1 | |
| Hydrochloric Acid SCHEMBL3857669 | 0.82 | HDAC6 (0.59) | HDAC6EPHX1HDAC3HDAC4HDAC1 | |
| SCHEMBL13573606 | 0.78 | HDAC6 (0.49) | HDAC6EPHX1HDAC3HDAC4HDAC1 | |
| SCHEMBL7248082 | 0.70 | HDAC6 (0.60) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL11782827 | 0.70 | ALDH1A1 (0.45) | HDAC6EPHX1HDAC3HDAC4HDAC1 | |
| SCHEMBL19882179 | 0.70 | CA12 (0.49) | PPIDALDH1A1TSHRITGB3ITGB1 | |
| SCHEMBL3861590 | 0.68 | HDAC6 (0.62) | HDAC6HDAC3HDAC4HDAC1HDAC8 | |
| SCHEMBL24331631 | 0.68 | CA2 (0.67) | HDAC6HDAC3HDAC1POLBSMN1; SMN2 | |
| SCHEMBL15832149 | 0.68 | EPHX1 (0.41) | EPHX1RAB9ANPC1POLBSMN1; SMN2 |
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-2516387-B1 | INHIBITORS OF CYCLOPHILINS FOR USE IN THE PREVENTION AND/OR THE TREATMENT OF VIRAL PATHOLOGIES OR INFECTIONS | INSTITUT NATIONAL DE LA SANTÉ ET DE LA RECH MÉDICALE (INSERM) (FR) | 2018-02-21 | — | — | EP | disclosed |