Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.55 |
| ▸ | THRB | P10828 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 5/20 | 0.54 |
| ▸ | RAB9A | P51151 | 5/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.54 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | PDE7A | Q13946 | 1/20 | 0.53 |
| ▸ | PDE7B | Q9NP56 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 2/20 | 0.49 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.48 |
| ▸ | NCOR1 | O75376 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL28141839 | 0.89 | CYP1A2 (0.53) | CYP1A2TP53THRBNPC1RAB9A | |
| SCHEMBL3916950 | 0.84 | RAB9A (0.61) | TP53NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL7350052 | 0.82 | HTT (0.56) | CYP1A2POLBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7789800 | 0.81 | POLB (0.53) | POLBNPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL5556586 | 0.80 | TP53 (0.59) | CYP1A2TP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4769320 | 0.78 | KMT2A (0.66) | CYP1A2TP53NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL7164014 | 0.78 | KMT2A (0.56) | CYP1A2TP53POLBNPC1RAB9A | |
| SCHEMBL1003761 | 0.77 | KDM4E (0.62) | POLBNPC1RAB9ATSHRALDH1A1 | |
| SCHEMBL4664711 | 0.76 | EGFR (0.47) | CYP1A2TP53THRBNPC1RAB9A | |
| SCHEMBL7791330 | 0.76 | RAB9A (0.62) | POLBNPC1RAB9ASMN1; SMN2MAPT |
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 2 patents. 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 |
| CN-1238761-A | benzamide aldehydes and their use as cysteine protease inhibitors | BASF AG (DE) | 1999-12-15 | — | — | CN | disclosed |