Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | ALPI | P09923 | 1/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.41 |
| ▸ | XIAP | P98170 | 1/20 | 0.41 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.41 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL7304914 | 0.87 | GBA1 (0.50) | LMNASIGMAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL6441062 | 0.86 | LMNA (0.43) | TRPA1LMNATDP1ALPIKDM4E | |
| SCHEMBL1043925 | 0.85 | PKM (0.41) | CYP1A2LMNATDP1ALPIPKM | |
| SCHEMBL10341465 | 0.82 | SLC6A2 (0.47) | CYP1A2EPHX1TRPA1SLC6A2SLC6A4 | |
| SCHEMBL7457154 | 0.80 | SLC6A2 (0.43) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11390977 | 0.79 | HSD17B2 (0.49) | CYP1A2KDM4ECYP3A4CYP2D6TSHR | |
| SCHEMBL7426334 | 0.79 | TRPA1 (0.44) | TRPA1HTR2AHTR2C | |
| SCHEMBL22567389 | 0.79 | IDO1 (0.45) | TRPA1 | |
| SCHEMBL1044704 | 0.78 | OPRL1 (0.55) | — | |
| SCHEMBL7368102 | 0.77 | EPHX1 (0.46) | CYP1A2EPHX1LMNATDP1SIGMAR1 |
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-112573979-A | Application method of Grignard reaction | 大连奇凯医药科技有限公司 | 2021-03-30 | — | — | CN | disclosed |