Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 5/20 | 0.75 |
| ▸ | CA1 | P00915 | 5/20 | 0.75 |
| ▸ | CA2 | P00918 | 5/20 | 0.75 |
| ▸ | CA9 | Q16790 | 5/20 | 0.75 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | AURKA | O14965 | 3/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.64 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.64 |
| ▸ | HPGD | P15428 | 1/20 | 0.64 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.64 |
| ▸ | PKM | P14618 | 1/20 | 0.63 |
| ▸ | ATM | Q13315 | 1/20 | 0.58 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
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 | |
|---|---|---|---|---|
| SCHEMBL18292676 | 0.87 | KMT2A (0.64) | CA12CA1CA2CA9MAPT | |
| SCHEMBL4501557 | 0.87 | ALDH1A1 (0.82) | CA12CA1CA2CA9MAPT | |
| SCHEMBL23928504 | 0.85 | CA12 (0.75) | CA12CA1CA2CA9MAPT | |
| SCHEMBL6686483 | 0.84 | CA12 (0.57) | CA12CA1CA2CA9MAPT | |
| Propionic Acid SCHEMBL28500081 | 0.84 | CA12 (0.64) | CA12CA1CA2CA9MAPT | |
| SCHEMBL5812722 | 0.84 | MAPT (0.67) | CA12CA1CA2CA9MAPT | |
| SCHEMBL28771391 | 0.84 | ALDH1A1 (0.78) | MAPTAURKATP53ALDH1A1KDM4E | |
| SCHEMBL4498839 | 0.81 | MAPT (0.63) | CA12CA1CA2CA9MAPT | |
| SCHEMBL976547 | 0.81 | AURKA (0.74) | CA12CA9MAPTAURKATP53 | |
| SCHEMBL16597905 | 0.80 | CA12 (0.59) | CA12CA1CA2CA9MAPT |
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-2005061462-A2 | DIARYL PYRAZOLE DERIVATIVES AND THEIR USE AS NEUROKININ-3 RECEPTOR MODULATORS | NEUROGEN CORPORATION (US) | 2005-07-07 | — | — | WO | disclosed |