Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 6/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 6/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | SCN1A | P35498 | 1/20 | 0.36 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.36 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.36 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARD | Q03181 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122556 | 0.95 | ADRB2 (0.39) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122555 | 0.95 | ADRB2 (0.40) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122445 | 0.94 | ADRB2 (0.41) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122394 | 0.93 | KMT2A (0.42) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122388 | 0.93 | ADRB2 (0.39) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122393 | 0.92 | ADRB2 (0.38) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122558 | 0.92 | ADRB2 (0.38) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122500 | 0.87 | ADRB2 (0.40) | ADRB2ADRB1ADRB3ALDH1A1TDP1 | |
| SCHEMBL20122395 | 0.87 | LMNA (0.37) | ADRB2ADRB1ADRB3ALDH1A1CYP2D6 | |
| SCHEMBL20122515 | 0.86 | ADRB2 (0.33) | ADRB2ADRB1ADRB3 |
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 |
|---|---|---|---|---|---|---|---|
| US-9963428-B1 | Bucillamine prodrugs, pharmaceutical compositions thereof, and methods of use | Nguyen, Mark Quang (US) | 2018-05-08 | — | — | US | disclosed |