Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL23747331 | 0.86 | MC4R (0.50) | ALDH1A1KDM4EMAPTNPC1TP53 | |
| SCHEMBL5907241 | 0.83 | HRH3 (0.48) | ALDH1A1KDM4E | |
| SCHEMBL31010095 | 0.81 | HRH3 (0.52) | ALDH1A1KDM4ETDP1 | |
| SCHEMBL26546814 | 0.81 | KDM4E (0.42) | ALDH1A1KDM4EKMT2ATDP1MEN1 | |
| SCHEMBL26098964 | 0.80 | SIGMAR1 (0.52) | KMT2ATDP1MEN1 | |
| SCHEMBL2462684 | 0.80 | SCN9A (0.38) | — | |
| SCHEMBL5740200 | 0.79 | CHEK1 (0.51) | ALDH1A1KDM4EMAPTKMT2AMEN1 | |
| SCHEMBL16549513 | 0.75 | CHRNA7 (0.50) | KDM4EMAPTNPC1KMT2ASMN1; SMN2 | |
| SCHEMBL25026804 | 0.74 | CHRM2 (0.47) | MAPTTP53 | |
| SCHEMBL18097762 | 0.72 | SCN9A (0.41) | KMT2AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1626967-A1 | SUBSTITUTED PYRAZOLES | MERCK PATENT GmbH (DE) | 2006-02-22 | — | — | EP | disclosed |
| WO-2004089931-A1 | SUBSTITUTED PYRAZOLES | MERCK PATENT GMBH (DE) | 2004-10-21 | — | — | WO | disclosed |