Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.48 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.48 |
| ▸ | ADORA1 | P30542 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 7/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.48 |
| ▸ | LMNA | P02545 | 4/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.44 |
| ▸ | USP2 | O75604 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL27699163 | 0.87 | MEN1 (0.51) | ADORA3ADORA2AADORA1CYP3A4CYP1A2 | |
| SCHEMBL9727980 | 0.72 | TGFBR1 (0.51) | ADORA2AADORA1CYP3A4CYP1A2TDP1 | |
| SCHEMBL9833618 | 0.72 | SMN1; SMN2 (0.51) | CYP3A4CYP1A2TDP1LMNACYP2D6 | |
| SCHEMBL7466847 | 0.71 | ADORA1 (0.50) | ADORA2AADORA1CYP3A4CYP1A2TDP1 | |
| SCHEMBL6545502 | 0.71 | ALDH1A1 (0.72) | ADORA2AADORA1CYP3A4CYP1A2TDP1 | |
| SCHEMBL27680206 | 0.70 | ALDH1A1 (0.56) | ADORA2AADORA1CYP3A4CYP1A2TDP1 | |
| SCHEMBL1850222 | 0.69 | ADORA2A (0.54) | ADORA2AADORA1CYP3A4TDP1CYP2D6 | |
| SCHEMBL7471062 | 0.67 | ABL1 (0.51) | ADORA2AADORA1CYP3A4CYP1A2TDP1 | |
| SCHEMBL28395564 | 0.67 | LMNA (0.38) | ADORA2AADORA1CYP3A4CYP1A2TDP1 | |
| SCHEMBL23331514 | 0.65 | CYP3A4 (0.67) | CYP3A4CYP1A2TDP1LMNACYP2D6 |
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-101041657-A | Imines derivative of 4,5-disubstituted-2-aminothiazole having anticancer action and preparation thereof | UNIV NANKAI (CN) | 2007-09-26 | — | — | CN | disclosed |