Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CASP1 | P29466 | 3/20 | 0.40 |
| ▸ | CASP3 | P42574 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | THRB | P10828 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL7434617 | 0.91 | CASP3 (0.49) | CYP1A2CYP2C9CYP2C19TP53CASP1 | |
| SCHEMBL7431049 | 0.87 | CYP1A2 (0.49) | CYP1A2CYP2C9CYP2C19NPC1HPGD | |
| SCHEMBL7438698 | 0.87 | CYP1A2 (0.58) | CYP1A2CYP2C9CYP2C19HPGDTP53 | |
| SCHEMBL7443556 | 0.87 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19NPC1HPGD | |
| SCHEMBL7437630 | 0.85 | CYP1A2 (0.56) | CYP1A2CYP2C9CYP2C19TP53ALDH1A1 | |
| SCHEMBL7433459 | 0.85 | CASP1 (0.41) | CASP1CASP3MAPTSYKP2RX7 | |
| SCHEMBL7434041 | 0.85 | CYP1A2 (0.47) | CYP1A2CYP2C9CYP2C19NPC1HPGD | |
| SCHEMBL7431018 | 0.85 | CYP1A2 (0.51) | CYP1A2CYP2C9CYP2C19TP53ALDH1A1 | |
| SCHEMBL7436635 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19NPC1HPGD | |
| SCHEMBL7445776 | 0.84 | CYP1A2 (0.46) | CYP1A2CYP2C9CYP2C19NPC1HPGD |
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-5710153-A | INTERLEUKIN CONVERTING ENZYME INHIBITORS | ONO PHRAMACEUTICAL CO., LTD. (JP) | 1998-01-20 | — | — | US | disclosed |
| EP-0761680-A2 | Tetrazole compounds having Interleukin-1beta converting enzyme inhibitory activity | ONO PHARMACEUTICAL CO., LTD. (JP) | 1997-03-12 | — | — | EP | disclosed |