Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.39 |
| ▸ | AKT1 | P31749 | 1/20 | 0.39 |
| ▸ | AKT2 | P31751 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | AKT3 | Q9Y243 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL13092158 | 0.91 | HTT (0.48) | HTTALDH1A1LMNAKDM4ECYP3A4 | |
| SCHEMBL7912451 | 0.80 | POLB (0.43) | HTTALDH1A1LMNANPC1KMT2A | |
| SCHEMBL379276 | 0.78 | HPGD (0.44) | ALDH1A1LMNANPC1KMT2AMEN1 | |
| SCHEMBL7899606 | 0.77 | HTT (0.48) | HTTALDH1A1LMNAKDM4ECYP3A4 | |
| SCHEMBL13102665 | 0.77 | HTT (0.48) | HTTALDH1A1LMNAKDM4ECYP3A4 | |
| SCHEMBL13092152 | 0.74 | TACR1 (0.49) | HTTALDH1A1LMNAKDM4ECYP3A4 | |
| SCHEMBL7899560 | 0.72 | HTT (0.43) | HTTALDH1A1LMNAKMT2AMEN1 | |
| SCHEMBL13102482 | 0.71 | NPC1 (0.51) | HTTALDH1A1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL7907628 | 0.71 | NPC1 (0.51) | HTTALDH1A1KDM4ECYP3A4CYP2D6 | |
| SCHEMBL1617024 | 0.67 | HTT (0.62) | HTTALDH1A1LMNAKDM4ECYP3A4 |
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 |