Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 1/20 | 0.55 |
| ▸ | NOS1 | P29475 | 6/20 | 0.54 |
| ▸ | NOS3 | P29474 | 4/20 | 0.54 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.50 |
| ▸ | HTR3B | O95264 | 2/20 | 0.50 |
| ▸ | HTR3A | P46098 | 2/20 | 0.50 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.50 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.50 |
| ▸ | SLC22A3 | O75751 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 4/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11770197 | 0.98 | CYP2D6 (0.55) | CYP2D6HIF1AKMT2AMEN1NOS1 | |
| Hydrochloric Acid SCHEMBL11770190 | 0.98 | CYP2D6 (0.55) | CYP2D6HIF1AKMT2AMEN1NOS1 | |
| Hydrochloric Acid SCHEMBL11769626 | 0.87 | CYP2D6 (0.56) | CYP2D6HIF1AKMT2AMEN1NOS1 | |
| Hydrochloric Acid SCHEMBL11769629 | 0.87 | CYP2D6 (0.56) | CYP2D6HIF1AKMT2AMEN1NOS1 | |
| Hydrochloric Acid SCHEMBL11770963 | 0.83 | HTR3E (0.59) | CYP2D6HIF1AKMT2AMEN1NOS1 | |
| Hydrochloric Acid SCHEMBL11770957 | 0.83 | HTR3E (0.59) | CYP2D6HIF1AKMT2AMEN1NOS1 | |
| SCHEMBL23188035 | 0.81 | RAB9A (0.47) | CYP2D6HIF1AKMT2ARAB9AALDH1A1 | |
| SCHEMBL5262396 | 0.81 | RAB9A (0.47) | CYP2D6HIF1AKMT2ARAB9AALDH1A1 | |
| SCHEMBL5262402 | 0.81 | RAB9A (0.47) | CYP2D6HIF1AKMT2ARAB9AALDH1A1 | |
| SCHEMBL11772996 | 0.80 | SIGMAR1 (0.51) | KMT2AMEN1RAB9AALDH1A1SMN1; SMN2 |
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-109796372-A | A method of preparing polysubstituted alkenyl amidine | 中国科学院化学研究所 | 2019-05-24 | — | — | CN | disclosed |