Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.46 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11273798 | 0.81 | GAA (0.50) | RAB9AALDH1A1KMT2AEGFRERBB2 | |
| SCHEMBL11269143 | 0.81 | ALDH1A1 (0.50) | RAB9AALDH1A1MEN1KMT2AHDAC3 | |
| SCHEMBL11270688 | 0.80 | KDM4E (0.47) | ALDH1A1HDAC1HDAC8HDAC6 | |
| SCHEMBL11264090 | 0.79 | MMP1 (0.53) | NPC1MEN1KMT2AHDAC3HDAC1 | |
| SCHEMBL11265650 | 0.78 | TSHR (0.56) | NPC1RAB9AALDH1A1CES2CES1 | |
| SCHEMBL11271743 | 0.76 | HDAC4 (0.45) | ALDH1A1HDAC4 | |
| 4-Nitrotoluene SCHEMBL11265976 | 0.76 | ACHE (0.58) | MEN1KMT2AL3MBTL1HDAC3HDAC1 | |
| SCHEMBL11264541 | 0.73 | MAPT (0.56) | NPC1RAB9AALDH1A1CES2CES1 | |
| SCHEMBL28774325 | 0.73 | CES2 (0.50) | NPC1RAB9AALDH1A1CES2CES1 | |
| SCHEMBL13812519 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4325964-A | SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS | LABORATOIRE L. LAFON (FR) | 1982-04-20 | — | — | US | claimed |
| US-4325964-A | SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS | LABORATOIRE L. LAFON (FR) | 1982-04-20 | — | — | US | disclosed |