Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LOXL2 | Q9Y4K0 | 5/20 | 0.67 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.45 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | LOX | P28300 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| Benzylamine SCHEMBL2593820 | 0.84 | LOXL2 (0.74) | LOXL2TSHRLMNAALOX12ACHE | |
| Benzylamine SCHEMBL11399414 | 0.82 | LOXL2 (0.70) | LOXL2TSHRLMNAALOX12ACHE | |
| Pyridine SCHEMBL7038246 | 0.82 | LOXL2 (0.80) | LOXL2TSHRTAAR1CYP1A2CYP2D6 | |
| Ethane SCHEMBL1654462 | 0.82 | LOXL2 (0.89) | LOXL2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL41000 | 0.82 | — | — | |
| P-Xylene SCHEMBL27449807 | 0.80 | LOXL2 (0.74) | LOXL2TSHRLMNAALOX12ACHE | |
| Hydrochloric Acid SCHEMBL2674696 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL17337033 | 0.79 | LOXL2 (0.94) | LOXL2CYP1A2CYP2D6CYP2C9CYP2C19 | |
| Iodide SCHEMBL31192174 | 0.79 | — | — | |
| Toluene SCHEMBL11558424 | 0.79 | LMNA (0.65) | TSHRLMNAALOX12ACHENPC1 |
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-110003101-A | A kind of Ah pa is for Buddhist nun's intermediate and preparation method thereof | 苏州富士莱医药股份有限公司 | 2019-07-12 | — | — | CN | disclosed |