Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.38 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.38 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | FNTA | P49354 | 1/20 | 0.38 |
| ▸ | FNTB | P49356 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MME | P08473 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122516 | 0.93 | ADRB2 (0.41) | KMT2ASLC6A3TDP1SLC6A2ADRB2 | |
| SCHEMBL20122556 | 0.90 | ADRB2 (0.39) | KMT2ASLC6A3TDP1ADRB2ADRB1 | |
| SCHEMBL20122488 | 0.90 | ALDH1A1 (0.42) | PPARGPPARAFNTAFNTBALDH1A1 | |
| SCHEMBL20122555 | 0.90 | ADRB2 (0.40) | KMT2ASLC6A3TDP1ADRB2ADRB1 | |
| SCHEMBL20122583 | 0.89 | MME (0.36) | PPARGPPARAFNTAFNTBPOLB | |
| SCHEMBL20122387 | 0.89 | PPARA (0.37) | PPARGPPARAFNTAFNTBPOLB | |
| SCHEMBL20122481 | 0.89 | CTSK (0.38) | PPARGPPARAFNTAFNTBACE | |
| SCHEMBL20122478 | 0.89 | KMT2A (0.43) | KMT2ASLC6A3TDP1SLC6A2ADRB2 | |
| SCHEMBL20122445 | 0.89 | ADRB2 (0.41) | SLC6A3TDP1ADRB2ADRB1ADRB3 | |
| SCHEMBL20122388 | 0.88 | ADRB2 (0.39) | SLC6A3TDP1ADRB2ADRB1ADRB3 |
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 |