Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.70 |
| ▸ | RAB9A | P51151 | 5/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.70 |
| ▸ | TP53 | P04637 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 1/20 | 0.62 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.62 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.62 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.62 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.62 |
| ▸ | PRKACA | P17612 | 1/20 | 0.62 |
| ▸ | GSK3A | P49840 | 1/20 | 0.62 |
| ▸ | GSK3B | P49841 | 1/20 | 0.62 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.62 |
| ▸ | PRKX | P51817 | 1/20 | 0.62 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.62 |
| ▸ | PRKG1 | Q13976 | 1/20 | 0.62 |
| ▸ | PKN2 | Q16513 | 1/20 | 0.62 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.62 |
| ▸ | SGK2 | Q9HBY8 | 1/20 | 0.62 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL7381190 | 1.00 | NPC1 (0.70) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL2859607 | 0.88 | NPC1 (0.69) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL7382779 | 0.87 | ALDH1A1 (0.64) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL4366623 | 0.87 | LMNA (0.63) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL4365720 | 0.87 | LMNA (0.63) | NPC1RAB9ASMN1; SMN2TP53LMNA | |
| SCHEMBL3682310 | 0.84 | CTRB1 (0.73) | NPC1RAB9AMAPK1ROCK2RPS6KA5 | |
| SCHEMBL5685800 | 0.84 | CTRB1 (0.73) | NPC1RAB9AMAPK1ROCK2RPS6KA5 | |
| SCHEMBL3682311 | 0.84 | CTRB1 (0.73) | NPC1RAB9AMAPK1ROCK2RPS6KA5 | |
| SCHEMBL5788650 | 0.84 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2TP53TAAR1 | |
| SCHEMBL7442005 | 0.83 | CA2 (0.74) | NPC1RAB9ASMN1; SMN2TP53TAAR1 |
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 |