Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP3K7 | O43318 | 1/20 | 0.32 |
| ▸ | TAB1 | Q15750 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL10072096 | 0.95 | MAP3K7 (0.34) | MAP3K7TAB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10072275 | 0.94 | MAP3K7 (0.33) | MAP3K7TAB1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL10072240 | 0.89 | SMN1; SMN2 (0.36) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL2704920 | 0.87 | — | — | |
| SCHEMBL2704924 | 0.87 | — | — | |
| SCHEMBL10072276 | 0.86 | KDM1A (0.34) | — | |
| SCHEMBL2705886 | 0.84 | HDAC3 (0.41) | — | |
| SCHEMBL2705892 | 0.84 | HDAC3 (0.41) | — | |
| SCHEMBL9895879 | 0.83 | SMN1; SMN2 (0.38) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7897506 | 0.83 | SMN1; SMN2 (0.38) | NPC1RAB9ASMN1; 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 |
|---|---|---|---|---|---|---|---|
| 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 |