Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
| ▸ | HPGDS | O60760 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 3/20 | 0.34 |
| ▸ | PPARA | Q07869 | 3/20 | 0.34 |
| ▸ | PPARD | Q03181 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL20122512 | 0.90 | MAPT (0.34) | HPGDALDH1A1LMNANPC1RAB9A | |
| SCHEMBL20122511 | 0.90 | MAPT (0.34) | HPGDALDH1A1LMNARAB9AMAPT | |
| SCHEMBL20122445 | 0.87 | ADRB2 (0.41) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL20122473 | 0.84 | MAPT (0.46) | HPGDALDH1A1LMNANPC1RAB9A | |
| SCHEMBL20122516 | 0.83 | ADRB2 (0.41) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL20122500 | 0.81 | ADRB2 (0.40) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL20122555 | 0.80 | ADRB2 (0.40) | ALDH1A1NFKB1NFKB2RELALMNA | |
| SCHEMBL20122588 | 0.80 | ACE (0.48) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL20122382 | 0.79 | ADRB2 (0.38) | ALDH1A1LMNAADRB2ADRB1ADRB3 | |
| SCHEMBL20122403 | 0.79 | CHRM1 (0.32) | MAPTADAM17KMT2AATM |
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 |