Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K7 | O43318 | 2/20 | 0.33 |
| ▸ | TAB1 | Q15750 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10072096 | 0.98 | MAP3K7 (0.34) | MAP3K7TAB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10072098 | 0.94 | MAP3K7 (0.32) | MAP3K7TAB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9895162 | 0.88 | HDAC3 (0.39) | NPC1RAB9ASMN1; SMN2HDAC1 | |
| SCHEMBL7896386 | 0.88 | HDAC3 (0.39) | NPC1RAB9ASMN1; SMN2HDAC1 | |
| SCHEMBL7897506 | 0.86 | SMN1; SMN2 (0.38) | NPC1RAB9ASMN1; SMN2HDAC1 | |
| SCHEMBL9895879 | 0.86 | SMN1; SMN2 (0.38) | NPC1RAB9ASMN1; SMN2HDAC1 | |
| SCHEMBL9895415 | 0.86 | MAP3K7 (0.30) | MAP3K7TAB1 | |
| SCHEMBL7899126 | 0.86 | MAP3K7 (0.30) | MAP3K7TAB1 | |
| SCHEMBL10072243 | 0.85 | MAOB (0.33) | NPC1RAB9ASMN1; SMN2HDAC1 | |
| SCHEMBL10072099 | 0.84 | MAOB (0.33) | RAB9ASMN1; SMN2HDAC1 |
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 |