Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | NOS1 | P29475 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | KCNJ1 | P48048 | 2/20 | 0.39 |
| ▸ | NAMPT | P43490 | 1/20 | 0.38 |
| ▸ | XDH | P47989 | 1/20 | 0.38 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.38 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Ethoxycarbonyl Group SCHEMBL28761403 | 0.90 | CYP2A6 (0.41) | CYP2A6MAPTCYP3A4NOS1KDM4E | |
| SCHEMBL29904251 | 0.83 | MAPT (0.54) | CYP2A6MAPTCYP3A4LMNAALOX15 | |
| SCHEMBL30011 | 0.83 | MAPT (0.54) | CYP2A6MAPTCYP3A4LMNAALOX15 | |
| Ethoxycarbonyl Group SCHEMBL27526972 | 0.79 | CYP2A6 (0.46) | CYP2A6MAPTKDM4EMEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL27550867 | 0.78 | AHR (0.62) | CYP2A6ALOX15KDM4EMEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL28658781 | 0.78 | AHR (0.62) | CYP2A6KDM4EMEN1POLBKMT2A | |
| Ethoxycarbonyl Group SCHEMBL28043664 | 0.78 | CYP2A6 (0.45) | CYP2A6MAPTKDM4EMEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL27785495 | 0.78 | TYR (0.62) | CYP2A6MAPTALOX15KDM4EMEN1 | |
| Ethoxycarbonyl Group SCHEMBL27528322 | 0.78 | AHR (0.62) | CYP2A6MAPTKDM4EMEN1POLB | |
| Ethoxycarbonyl Group SCHEMBL28929781 | 0.77 | KMT2A (0.69) | CYP2A6MAPTKDM4EMEN1POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-101790313-A | Compound (I) | SMITHKLINE BEECHAM CORP | 2010-07-28 | — | — | CN | disclosed |