Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 4/20 | 0.78 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.62 |
| ▸ | SRC | P12931 | 1/20 | 0.60 |
| ▸ | BRAF | P15056 | 1/20 | 0.60 |
| ▸ | KDR | P35968 | 1/20 | 0.60 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.49 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1553100 | 0.88 | MEN1 (1.00) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL2559747 | 0.85 | MEN1 (0.78) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL6267877 | 0.85 | MEN1 (0.78) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL28524227 | 0.83 | RAB9A (0.64) | MEN1KMT2AALDH1A1POLBCYP2C9 | |
| SCHEMBL14553211 | 0.82 | MEN1 (0.75) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL8356085 | 0.80 | SRC (0.74) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL6264973 | 0.80 | PDE4D (0.73) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 | |
| SCHEMBL14133085 | 0.79 | ALDH1A1 (0.77) | MEN1KMT2AALDH1A1POLBCYP2C9 | |
| SCHEMBL17784783 | 0.78 | POLB (0.50) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL14482198 | 0.78 | MEN1 (0.81) | MEN1KMT2AALDH1A1CYP2C9CYP2C19 |
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 |