Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYMP | P19971 | 1/20 | 0.36 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.34 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | ADK | P55263 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.33 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29368065 | 0.94 | DNMT1 (0.40) | TYMPDNMT1DHFRGPR84WDR5 | |
| SCHEMBL30616100 | 0.94 | DNMT1 (0.40) | TYMPDNMT1DHFRGPR84WDR5 | |
| SCHEMBL275907 | 0.94 | DNMT1 (0.40) | TYMPDNMT1DHFRGPR84WDR5 | |
| SCHEMBL30436853 | 0.92 | DNMT1 (0.39) | TYMPDNMT1DHFRGPR84WDR5 | |
| SCHEMBL8595804 | 0.92 | DNMT1 (0.39) | TYMPDNMT1DHFRGPR84WDR5 | |
| SCHEMBL29124520 | 0.91 | TYMP (0.36) | TYMPDNMT1DHFRGPR84WDR5 | |
| Hydrochloric Acid SCHEMBL8719043 | 0.91 | DNMT1 (0.38) | TYMPDNMT1DHFRGPR84WDR5 | |
| Hydrochloric Acid SCHEMBL8719044 | 0.91 | DNMT1 (0.38) | TYMPDNMT1DHFRGPR84WDR5 | |
| SCHEMBL5805612 | 0.89 | GPR84 (0.38) | TYMPDNMT1DHFRGPR84WDR5 | |
| SCHEMBL29643343 | 0.89 | CYP2A6 (0.38) | DNMT1GPR84WDR5ALDH1A1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| CN-108101820-B | Synthesis process and intermediate of chiral pyrrolidine | 上海鑫凯化学科技有限公司 | 2020-04-03 | — | — | CN | disclosed |
| US-5843918-A | Anti-endotoxin compounds | EISAI CO., LTD. (JP) | 1998-12-01 | — | — | US | disclosed |
| US-5756718-A | ANALOGS OF LIPID A | EISAI CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |