Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 2/20 | 0.66 |
| ▸ | NPC1 | O15118 | 7/20 | 0.65 |
| ▸ | RAB9A | P51151 | 7/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.65 |
| ▸ | TP53 | P04637 | 2/20 | 0.65 |
| ▸ | TSHR | P16473 | 1/20 | 0.65 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.61 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.60 |
| ▸ | HTT | P42858 | 2/20 | 0.60 |
| ▸ | MEN1 | O00255 | 2/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | PKM | P14618 | 1/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL8320549 | 0.88 | HDAC1 (0.70) | CYSLTR1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL8325202 | 0.87 | NPC1 (0.62) | CYSLTR1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL8319193 | 0.87 | CYP2C9 (0.67) | CYSLTR1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL8322714 | 0.87 | ALDH1A1 (0.61) | CYSLTR1NPC1RAB9ASMN1; SMN2TP53 | |
| SCHEMBL8324498 | 0.82 | KDM4E (0.66) | NPC1RAB9ASMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL2241896 | 0.80 | RAB9A (1.00) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL8326286 | 0.76 | MEN1 (0.72) | CYP3A4CYP2D6CYP2C19ALDH1A1KMT2A | |
| SCHEMBL5007637 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL30354865 | 0.75 | NPC1 (0.77) | NPC1RAB9ASMN1; SMN2TP53TSHR | |
| SCHEMBL2248644 | 0.75 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2TP53TSHR |
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-2004063169-A1 | HYDROXAMID ACID DERIVATIVES AS HISTONE DEACETYLASE (HDAC) INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2004-07-29 | — | — | WO | disclosed |