Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 2/20 | 0.52 |
| ▸ | ADRA1D | P25100 | 2/20 | 0.52 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.52 |
| ▸ | ADRA1B | P35368 | 2/20 | 0.52 |
| ▸ | CHEK2 | O96017 | 3/20 | 0.52 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | NCF1 | P14598 | 1/20 | 0.49 |
| ▸ | RIPK2 | O43353 | 2/20 | 0.48 |
| ▸ | GAK | O14976 | 1/20 | 0.48 |
| ▸ | COQ8A | Q8NI60 | 1/20 | 0.48 |
| ▸ | NLK | Q9UBE8 | 1/20 | 0.48 |
| ▸ | CHEK1 | O14757 | 2/20 | 0.47 |
| ▸ | KDR | P35968 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3631572 | 1.00 | HTR1A (0.52) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| SCHEMBL3631574 | 1.00 | HTR1A (0.52) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| Hydrochloric Acid SCHEMBL23360528 | 0.99 | HTR1A (0.51) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| Hydrochloric Acid SCHEMBL23360525 | 0.99 | HTR1A (0.51) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| SCHEMBL29862805 | 0.91 | HTR1A (0.54) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| SCHEMBL3636436 | 0.90 | HTR1A (0.56) | HTR1AADRA1DADRA1AADRA1BMCHR1 | |
| Hydrochloric Acid SCHEMBL23360614 | 0.89 | HTR1A (0.53) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| Hydrochloric Acid SCHEMBL23360615 | 0.89 | HTR1A (0.53) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| Hydrochloric Acid SCHEMBL29863037 | 0.89 | HTR1A (0.53) | HTR1AADRA1DADRA1AADRA1BCHEK2 | |
| SCHEMBL29862467 | 0.84 | HTR1A (0.51) | HTR1AADRA1DADRA1AADRA1BCHEK2 |
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-114867719-A | Pyrrolidine and piperidine compounds | 柳韩洋行 | 2022-08-05 | — | — | CN | disclosed |