Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 1/20 | 0.38 |
| ▸ | PPARG | P37231 | 1/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ACE | P12821 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | MME | P08473 | 1/20 | 0.37 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.37 |
| ▸ | CTSL | P07711 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL20122459 | 0.87 | ACE (0.51) | ALDH1A1MAPTKDM4ERAB9AERCC5 | |
| SCHEMBL20122456 | 0.87 | ACE (0.40) | ALDH1A1MAPTKDM4ERAB9AKMT2A | |
| SCHEMBL11331809 | 0.79 | GPR139 (0.45) | ALDH1A1MAPTPPARGPPARAKMT2A | |
| SCHEMBL20122473 | 0.74 | MAPT (0.46) | ALDH1A1MAPTKDM4ERAB9AERCC5 | |
| SCHEMBL16072791 | 0.71 | CES2 (0.47) | ALDH1A1MAPTRAB9AERCC5FEN1 | |
| SCHEMBL11337774 | 0.69 | CPB2 (0.36) | ALDH1A1MAPTKDM4EPPARGPPARA | |
| SCHEMBL11333699 | 0.69 | PPARG (0.33) | PPARGPPARAACEMMEACE2 | |
| SCHEMBL11516592 | 0.68 | ACE (0.60) | PPARGPPARAACE | |
| SCHEMBL11130655 | 0.68 | KDM4E (0.40) | ALDH1A1KDM4EPPARGPPARAKMT2A | |
| SCHEMBL20122474 | 0.66 | ACE (0.32) | ALDH1A1ACEMMEACE2GRN |
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 |