Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.48 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.48 |
| ▸ | ACP3 | P15309 | 1/20 | 0.48 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.46 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL22836032 | 0.84 | HTT (0.56) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3861412 | 0.84 | HTT (0.56) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3861418 | 0.84 | HTT (0.56) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL10521250 | 0.82 | MAPT (0.51) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8790902 | 0.82 | MEN1 (0.60) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2458450 | 0.81 | HTT (0.53) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL2458448 | 0.81 | HTT (0.53) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 | |
| SCHEMBL3018937 | 0.79 | ACP3 (0.45) | LMNAALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL3018939 | 0.79 | ACP3 (0.45) | LMNAALDH1A1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL16783370 | 0.79 | HTT (0.55) | HTTLMNAL3MBTL1SMN1; SMN2ALDH1A1 |
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-2632908-A1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | Merck Canada Inc. (CA) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012055034-A1 | SULFONAMIDES AS HIV PROTEASE INHIBITORS | MERCK CANADA INC. (CA) | 2012-05-03 | — | — | WO | disclosed |