Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.53 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL27503215 | 0.71 | NPC1 (0.56) | ALDH1A1KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL7909956 | 0.71 | EPHX2 (0.48) | ALDH1A1CYP3A4CYP2C19LMNAKMT2A | |
| SCHEMBL22499610 | 0.71 | MEN1 (0.58) | ALDH1A1KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL14040888 | 0.71 | MEN1 (0.58) | ALDH1A1KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL3997259 | 0.71 | HTR7 (0.44) | ALDH1A1NPC1HTTPOLBMEN1 | |
| SCHEMBL5219016 | 0.71 | MEN1 (0.58) | ALDH1A1KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL27820665 | 0.71 | HTT (0.63) | ALDH1A1KDM4ECYP3A4CYP2D6CYP2C9 | |
| SCHEMBL23000164 | 0.70 | HTT (0.62) | ALDH1A1KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL6174378 | 0.70 | HTT (0.62) | ALDH1A1KDM4ENPC1CYP3A4CYP2D6 | |
| SCHEMBL4451432 | 0.70 | HTT (0.62) | ALDH1A1KDM4ENPC1CYP3A4CYP2D6 |
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-2010106081-A1 | PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS | F. HOFFMANN-LA ROCHE AG (CH) | 2010-09-23 | — | — | WO | disclosed |