Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | MMP12 | P39900 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | ACHE | P22303 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15845332 | 0.70 | — | — | |
| SCHEMBL1611847 | 0.70 | AHR (0.48) | CYP1A2CYP2A6ALDH1A1GAAMAPT | |
| SCHEMBL1609847 | 0.70 | AHR (0.48) | CYP1A2CYP2A6ALDH1A1GAAMAPT | |
| SCHEMBL6914703 | 0.70 | AHR (0.54) | CYP2A6ALDH1A1HSD17B10TDP1TP53 | |
| SCHEMBL6686721 | 0.70 | AHR (0.54) | CYP1A2CYP2A6ALDH1A1MAPTTDP1 | |
| SCHEMBL8519607 | 0.70 | PARP1 (0.42) | CYP1A2CYP2A6ALDH1A1GAAMAPT | |
| SCHEMBL15869808 | 0.68 | KDM4E (0.43) | CYP1A2CYP2A6MMP12ALDH1A1GAA | |
| SCHEMBL8167005 | 0.68 | TSHR (0.59) | CYP1A2CYP2A6MMP12ALDH1A1GAA | |
| SCHEMBL10920833 | 0.67 | MMP12 (0.35) | CYP1A2CYP2A6MMP12ALDH1A1GAA | |
| SCHEMBL14819 | 0.67 | CTNNB1 (0.41) | MMP12KDM4EATM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679662-B1 | Catalyst component for the polymerization of olefins | NIPPON OIL CO LTD (JP) | 1999-07-14 | — | — | EP | disclosed |
| US-5728641-A | Catalyst component for the polymerization of olefins | NIPPON OIL COMPANY, LIMITED (JP) | 1998-03-17 | — | — | US | disclosed |
| EP-0679662-A1 | Catalyst component for the polymerization of olefins | NIPPON OIL CO. LTD. (JP) | 1995-11-02 | — | — | EP | disclosed |