Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.37 |
| ▸ | CCR1 | P32246 | 1/20 | 0.36 |
| ▸ | CCR2 | P41597 | 1/20 | 0.36 |
| ▸ | CCR4 | P51679 | 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 | |
|---|---|---|---|---|
| SCHEMBL15822345 | 0.91 | KMT2A (0.42) | KMT2ACYP3A4ALDH1A1MEN1TDP1 | |
| SCHEMBL15839513 | 0.89 | KMT2A (0.40) | KMT2ACYP3A4ALDH1A1MEN1TDP1 | |
| SCHEMBL9135430 | 0.88 | KMT2A (0.45) | KMT2ACYP3A4ALDH1A1MEN1TDP1 | |
| Prothioconazole-Desthio SCHEMBL2491761 | 0.86 | HSP90AA1 (0.45) | KMT2ACYP3A4ALDH1A1CYP2C9LMNA | |
| Prothioconazole-Desthio SCHEMBL29405397 | 0.86 | HSP90AA1 (0.45) | KMT2ACYP3A4ALDH1A1CYP2C9LMNA | |
| SCHEMBL16165981 | 0.84 | KMT2A (0.38) | KMT2ACYP3A4ALDH1A1CYP2C9LMNA | |
| SCHEMBL10385925 | 0.83 | ALDH1A1 (0.53) | KMT2ACYP3A4ALDH1A1MEN1CYP2C9 | |
| SCHEMBL9589464 | 0.83 | KMT2A (0.42) | KMT2ACYP3A4ALDH1A1MEN1TDP1 | |
| SCHEMBL2353053 | 0.82 | KMT2A (0.49) | KMT2ACYP3A4ALDH1A1MEN1TDP1 | |
| SCHEMBL10814426 | 0.82 | KMT2A (0.49) | KMT2ACYP3A4ALDH1A1MEN1TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4913727-A | Fungicidal and plant growth-regulating azolylmethyl-cyclopropyl derivatives | BAYER AKTIENGESELLSCHAFT (DE) | 1990-04-03 | — | — | US | claimed |