Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | TAS1R3 | Q7RTX0 | 2/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.39 |
| ▸ | CES1 | P23141 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | TLR7 | Q9NYK1 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.38 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.38 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7787777 | 0.85 | CAPN1 (0.49) | KMT2AMAPK1 | |
| SCHEMBL27656629 | 0.77 | RAB9A (0.54) | NPC1RAB9ATAS1R3TAS1R1KMT2A | |
| SCHEMBL7466235 | 0.71 | PSMB5 (0.51) | NPC1RAB9AKMT2AMEN1TLR7 | |
| SCHEMBL10892392 | 0.71 | CES2 (0.64) | NPC1RAB9AKMT2ACES1CES2 | |
| SCHEMBL27676562 | 0.70 | HDAC3 (0.53) | NPC1RAB9ATAS1R3TAS1R1KMT2A | |
| SCHEMBL13821939 | 0.69 | PTPN1 (0.57) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL7787786 | 0.68 | CAPN1 (0.50) | NPC1RAB9ASMN1; SMN2MAPTGAA | |
| SCHEMBL7377431 | 0.67 | CAPN1 (0.48) | NPC1RAB9ATAS1R3TAS1R1KMT2A | |
| SCHEMBL29351366 | 0.67 | CASP3 (0.40) | NPC1RAB9AKMT2AMEN1SMN1; SMN2 | |
| SCHEMBL24862890 | 0.66 | CAPN1 (0.56) | KMT2ASMN1; SMN2MAPTHTT |
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-6251917-B1 | Benzamidoaldehydes and their use as cysteine protease inhibitors | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-26 | — | — | US | disclosed |