Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 6/20 | 0.40 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.37 |
| ▸ | S1PR2 | O95136 | 2/20 | 0.37 |
| ▸ | LPAR2 | Q9HBW0 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.36 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21517317 | 0.73 | SLC5A1 (0.41) | MEN1KMT2AADRB2DRD3ADRB1 | |
| SCHEMBL3195359 | 0.65 | S1PR1 (0.69) | MEN1KMT2AS1PR1S1PR3ALDH1A1 | |
| SCHEMBL29621664 | 0.64 | STS (0.67) | S1PR1S1PR3S1PR2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL948811 | 0.64 | S1PR1 (0.77) | S1PR1S1PR3S1PR2 | |
| SCHEMBL7475398 | 0.64 | S1PR1 (0.52) | MEN1KMT2ADRD3S1PR1S1PR3 | |
| SCHEMBL27755949 | 0.63 | SIGMAR1 (0.68) | ADRB2DRD3S1PR1S1PR3S1PR2 | |
| Hydrochloric Acid SCHEMBL947449 | 0.63 | S1PR1 (0.78) | DRD3S1PR1S1PR3S1PR2DRD2 | |
| Hydrochloric Acid SCHEMBL948074 | 0.63 | S1PR1 (0.77) | S1PR1S1PR3S1PR2 | |
| Hydrochloric Acid SCHEMBL947335 | 0.63 | S1PR1 (0.77) | S1PR1S1PR3S1PR2 | |
| Hydrochloric Acid SCHEMBL3546475 | 0.63 | S1PR1 (0.77) | S1PR1S1PR3S1PR2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3556435-A1 | CLASS OF BIFUNCTIONAL COMPOUNDS WITH QUATERNARY AMMONIUM SALT STRUCTURE | Beijing Showby Pharmaceutical Co., Ltd. (CN) | 2019-10-23 | — | — | EP | disclosed |