Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LMNA | P02545 | 5/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.42 |
| ▸ | TP53 | P04637 | 4/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | UBE2M | P61081 | 5/20 | 0.36 |
| ▸ | DCUN1D1 | Q96GG9 | 5/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6028975 | 0.83 | CYP3A4 (0.41) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL5746249 | 0.83 | CYP3A4 (0.41) | NPC1RAB9ASMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL6260848 | 0.82 | CYP3A4 (0.40) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6614853 | 0.78 | RAB9A (0.43) | LMNANPC1RAB9AMAPTTP53 | |
| SCHEMBL5901406 | 0.76 | CYP3A4 (0.46) | — | |
| SCHEMBL5901411 | 0.76 | CYP3A4 (0.46) | — | |
| SCHEMBL5965235 | 0.76 | CYP3A4 (0.46) | — | |
| SCHEMBL6258629 | 0.76 | LMNA (0.40) | LMNAMAPTTP53THRBSMN1; SMN2 | |
| SCHEMBL6195656 | 0.73 | CYP3A4 (0.38) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6261220 | 0.72 | CYP3A4 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1583760-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV Therapeutics Inc. (US) | 2005-10-12 | — | — | EP | disclosed |
| WO-2004067506-A2 | SUBSTITUTED HETEROCYCLIC COMPOUNDS | CV THERAPEUTICS INC. (US) | 2004-08-12 | — | — | WO | disclosed |
| EP-1406898-A1 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2004-04-14 | — | — | EP | disclosed |
| WO-2003008411-A1 | SUBSTITUTED PIPERAZINE COMPOUNDS AND THEIR USE AS FATTY ACID OXIDATION INHIBITORS | CV THERAPEUTICS, INC. (US) | 2003-01-30 | — | — | WO | disclosed |