Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | MPO | P05164 | 1/20 | 0.46 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | BRAF | P15056 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | ATM | Q13315 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6270116 | 0.89 | MEN1 (0.67) | MEN1KMT2AALDH1A1MPOSRC | |
| Hydrochloric Acid SCHEMBL6281990 | 0.87 | MEN1 (0.65) | MEN1KMT2AALDH1A1MPOSRC | |
| SCHEMBL6267877 | 0.81 | MEN1 (0.78) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL11476853 | 0.74 | CYP1A2 (0.61) | MEN1KMT2AMPOMAPTCYP2C9 | |
| SCHEMBL14553211 | 0.73 | MEN1 (0.75) | MEN1KMT2AALDH1A1MAPTCYP2C9 | |
| SCHEMBL14132507 | 0.73 | MEN1 (1.00) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL1553100 | 0.72 | MEN1 (1.00) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL6269787 | 0.71 | MEN1 (0.58) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL14133375 | 0.70 | MEN1 (0.69) | MEN1KMT2AALDH1A1SRCBRAF | |
| SCHEMBL4494401 | 0.70 | CYP2C9 (0.69) | MEN1KMT2AALDH1A1SRCBRAF |
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 |