Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.42 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.42 |
| ▸ | DRD2 | P14416 | 3/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | GID4 | Q8IVV7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7723674 | 0.98 | ALDH1A1 (0.48) | ALDH1A1TSHRHTR2CMEN1KMT2A | |
| SCHEMBL22870503 | 0.95 | HTR2C (0.46) | ALDH1A1TSHRHTR2CMEN1KMT2A | |
| SCHEMBL20789976 | 0.95 | ALDH1A1 (0.50) | ALDH1A1TSHRHTR2CMEN1KMT2A | |
| SCHEMBL1613815 | 0.91 | ALDH1A1 (0.55) | ALDH1A1TSHRHTR2CMEN1KMT2A | |
| SCHEMBL12297790 | 0.88 | HTR2C (0.50) | ALDH1A1TSHRHTR2CDRD2CYP1A1 | |
| SCHEMBL25048801 | 0.86 | HTR2C (0.40) | ALDH1A1TSHRHTR2CMEN1KMT2A | |
| SCHEMBL10655886 | 0.85 | MEN1 (0.41) | ALDH1A1TSHRHTR2CMEN1KMT2A | |
| SCHEMBL11264196 | 0.83 | CYP2D6 (0.49) | HTR2C | |
| Hydrochloric Acid SCHEMBL11269391 | 0.82 | CYP2D6 (0.47) | HTR2C | |
| SCHEMBL5584971 | 0.81 | HTR2C (0.69) | ALDH1A1HTR2CMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023017152-A1 | SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION | ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) | 2023-02-16 | — | — | WO | disclosed |
| WO-2016026830-A1 | NOVEL FUNGICIDAL PYRAZOLE DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2016-02-25 | — | — | WO | disclosed |