Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.71 |
| ▸ | NR1H4 | Q96RI1 | 6/20 | 0.62 |
| ▸ | EPHX2 | P34913 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.58 |
| ▸ | SELL | P14151 | 2/20 | 0.56 |
| ▸ | SELP | P16109 | 2/20 | 0.56 |
| ▸ | SELE | P16581 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 1/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | MMP8 | P22894 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL11533429 | 0.89 | CYP2C9 (0.65) | KMT2AALDH1A1MEN1CYP1A2CYP2D6 | |
| SCHEMBL26112506 | 0.83 | KMT2A (0.61) | KMT2ANR1H4EPHX2ALDH1A1CYP1A2 | |
| SCHEMBL13920454 | 0.83 | KMT2A (0.67) | KMT2ANR1H4EPHX2ALDH1A1SELL | |
| SCHEMBL22833169 | 0.83 | KMT2A (0.52) | KMT2ANR1H4EPHX2ALDH1A1MEN1 | |
| SCHEMBL8138199 | 0.83 | KMT2A (0.67) | KMT2ANR1H4EPHX2ALDH1A1SELL | |
| SCHEMBL3932787 | 0.83 | KMT2A (0.67) | KMT2ANR1H4EPHX2ALDH1A1SELL | |
| SCHEMBL16162038 | 0.83 | EPHX2 (0.58) | KMT2ANR1H4EPHX2CYP1A2CYP2D6 | |
| SCHEMBL5374862 | 0.83 | KMT2A (1.00) | KMT2ANR1H4EPHX2ALDH1A1SELL | |
| SCHEMBL1566410 | 0.83 | SMN1; SMN2 (0.74) | KMT2ANR1H4EPHX2ALDH1A1MEN1 | |
| SCHEMBL3503996 | 0.82 | ALDH1A1 (0.81) | KMT2ANR1H4EPHX2ALDH1A1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6103720-A | ENZYME INHIBITORS; ANTIICHEMIC AND -TUMOR AGENTS; STROKES; ALZEIMER'S DISEASE | BASF AKTIENGESELLSCHAFT (DE) | 2000-08-15 | — | — | US | disclosed |
| CN-1245486-A | Ketobenzamides as calpain inhibitors | BASF AG (DE) | 2000-02-23 | — | — | CN | disclosed |