Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.31 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.31 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.31 |
| ▸ | CCR2 | P41597 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
| ▸ | KDM1A | O60341 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9894807 | 0.90 | SMN1; SMN2 (0.37) | SMN1; SMN2NPC1RAB9ATRPV1ALDH1A1 | |
| SCHEMBL7897085 | 0.90 | SMN1; SMN2 (0.37) | SMN1; SMN2NPC1RAB9ATRPV1ALDH1A1 | |
| SCHEMBL9894806 | 0.90 | SMN1; SMN2 (0.37) | SMN1; SMN2NPC1RAB9ATRPV1ALDH1A1 | |
| SCHEMBL9896186 | 0.90 | SMN1; SMN2 (0.37) | SMN1; SMN2NPC1RAB9ATRPV1ALDH1A1 | |
| SCHEMBL2705563 | 0.88 | HDAC1 (0.41) | SMN1; SMN2NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL10072246 | 0.88 | HDAC1 (0.41) | SMN1; SMN2NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL2705567 | 0.88 | HDAC1 (0.41) | SMN1; SMN2NPC1RAB9AHDAC3HDAC4 | |
| SCHEMBL15377011 | 0.84 | SMN1; SMN2 (0.38) | SMN1; SMN2NPC1RAB9ATRPV1ALDH1A1 | |
| SCHEMBL15377012 | 0.84 | SMN1; SMN2 (0.38) | SMN1; SMN2NPC1RAB9ATRPV1ALDH1A1 | |
| SCHEMBL7896015 | 0.84 | SMN1; SMN2 (0.38) | SMN1; SMN2NPC1RAB9ATRPV1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012025701-A1 | ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-03-01 | — | — | WO | disclosed |