Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.75 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.58 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.52 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | BACE1 | P56817 | 2/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.45 |
| ▸ | AGXT | P21549 | 2/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.44 |
| ▸ | NOS3 | P29474 | 1/20 | 0.44 |
| ▸ | NOS1 | P29475 | 1/20 | 0.44 |
| ▸ | NOS2 | P35228 | 1/20 | 0.44 |
| ▸ | BACE2 | Q9Y5Z0 | 1/20 | 0.43 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL4936110 | 0.88 | TAAR1 (0.75) | TAAR1HRH3LOXL2CYP2A6BACE1 | |
| SCHEMBL22291708 | 0.87 | TAAR1 (1.00) | TAAR1HRH3LOXL2CYP2A6IDO1 | |
| SCHEMBL22202237 | 0.87 | TAAR1 (1.00) | TAAR1HRH3LOXL2CYP2A6IDO1 | |
| SCHEMBL28208288 | 0.87 | TAAR1 (1.00) | TAAR1HRH3LOXL2CYP2A6IDO1 | |
| SCHEMBL131842 | 0.87 | TAAR1 (1.00) | TAAR1HRH3LOXL2CYP2A6IDO1 | |
| Hydrochloric Acid SCHEMBL1661202 | 0.84 | TAAR1 (0.95) | TAAR1HRH3LOXL2CYP2A6IDO1 | |
| Hydrochloric Acid SCHEMBL7921699 | 0.84 | TAAR1 (0.95) | TAAR1HRH3LOXL2CYP2A6IDO1 | |
| SCHEMBL28420570 | 0.83 | TAAR1 (0.75) | TAAR1HRH3LOXL2CYP2A6BACE1 | |
| Acetic Acid SCHEMBL28208961 | 0.82 | TAAR1 (0.67) | TAAR1HRH3LOXL2CYP2A6BACE1 | |
| SCHEMBL28164006 | 0.80 | TAAR1 (0.86) | TAAR1HRH3LOXL2CYP2A6IDO1 |
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-111378162-A | Energy absorption method based on dynamic polymer | 翁秋梅 | 2020-07-07 | — | — | CN | disclosed |