Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | SIRT3 | Q9NTG7 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 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 | |
|---|---|---|---|---|
| SCHEMBL4885683 | 1.00 | HTT (0.42) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL14407241 | 0.88 | HTT (0.40) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL19688557 | 0.87 | SIRT3 (0.42) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL3201584 | 0.85 | SIRT3 (0.47) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL4886616 | 0.84 | POLB (0.43) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL14407244 | 0.84 | POLB (0.43) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL17635774 | 0.84 | SIRT3 (0.39) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL19688553 | 0.83 | SIRT3 (0.40) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL27119473 | 0.83 | SIRT3 (0.46) | HTTPOLBCYP3A4NPC1SIRT3 | |
| SCHEMBL16525302 | 0.82 | SIRT3 (0.39) | HTTPOLBCYP3A4NPC1SIRT3 |
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-2012003478-A2 | DETECTING TARGETS USING MASS TAGS AND MASS SPECTROMETRY | VENTANA MEDICAL SYSTEMS, INC. (US) | 2012-01-05 | — | — | WO | disclosed |