Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.43 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.42 |
| ▸ | MMP3 | P08254 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8772491 | 0.81 | HTR2A (0.42) | ALDH1A1POLBSIGMAR1TDP1L3MBTL1 | |
| SCHEMBL8104154 | 0.79 | FAAH (0.44) | POLBTSHRCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8772509 | 0.77 | TSHR (0.44) | ALDH1A1HSD17B10POLBTSHRCYP3A4 | |
| SCHEMBL8772533 | 0.77 | KCNA5 (0.42) | ALDH1A1TSHRCYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8439355 | 0.77 | GSK3A (0.44) | ALDH1A1TSHRCYP3A4CYP2D6CYP2C19 | |
| SCHEMBL8441542 | 0.75 | ALDH1A1 (0.52) | ALDH1A1POLBKCNA5KCNH2 | |
| SCHEMBL14609253 | 0.75 | OPRK1 (0.57) | ALDH1A1POLBTSHRCYP3A4CYP2D6 | |
| SCHEMBL6820212 | 0.72 | MMP8 (0.60) | ALDH1A1HSD17B10POLBMMP1MMP13 | |
| SCHEMBL8772449 | 0.71 | CYP1A2 (0.42) | ALDH1A1POLBCYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8772454 | 0.71 | POLB (0.42) | ALDH1A1POLBSIGMAR1TDP1L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0799200-A1 | SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1997-10-08 | — | — | EP | disclosed |