Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.37 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.37 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8396819 | 0.71 | TDP1 (0.44) | HTTTDP1CYP2C19SMN1; SMN2CHRNA7 | |
| SCHEMBL6217856 | 0.70 | KMT2A (0.43) | HTTTDP1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL3033731 | 0.68 | MCL1 (0.44) | HTTTDP1RAB9ACYP2C19NPC1 | |
| SCHEMBL8396484 | 0.68 | TDP1 (0.41) | HTTTDP1RAB9ACYP2C19NPC1 | |
| SCHEMBL6557535 | 0.68 | DDB1 (0.52) | HTTRAB9ANPC1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8396555 | 0.67 | MCL1 (0.43) | HTTTDP1RAB9ACYP2C19NPC1 | |
| SCHEMBL5168305 | 0.67 | MCL1 (0.43) | HTTTDP1RAB9ACYP2C19NPC1 | |
| SCHEMBL8394538 | 0.67 | MCL1 (0.43) | HTTTDP1RAB9ACYP2C19NPC1 | |
| SCHEMBL810830 | 0.62 | CES1 (0.50) | TDP1CYP2C19SMN1; SMN2CES2ALDH1A1 | |
| SCHEMBL543877 | 0.61 | CES1 (0.55) | TDP1CYP2C19SMN1; SMN2CES2ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1436255-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | Aventis Pharmaceuticals, Inc. (US) | 2004-07-14 | — | — | EP | disclosed |
| WO-2003024924-A1 | NOVEL COMPOUNDS AND COMPOSITIONS AS CATHEPSIN INHIBITORS | AVENTIS PHARMACEUTICALS INC. (US) | 2003-03-27 | — | — | WO | disclosed |