Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.39 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 5/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.37 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.37 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL5944511 | 1.00 | NPC1 (0.50) | NPC1RAB9AL3MBTL1CYP2D6CHRNB2 | |
| SCHEMBL5289629 | 0.98 | NPC1 (0.48) | NPC1RAB9AL3MBTL1CYP2D6CHRNB2 | |
| SCHEMBL8965305 | 0.89 | NPC1 (0.41) | NPC1RAB9AL3MBTL1CYP2D6CHRNB2 | |
| SCHEMBL5944606 | 0.89 | NPC1 (0.41) | NPC1RAB9AL3MBTL1CYP2D6CHRNB2 | |
| SCHEMBL5944505 | 0.88 | NPC1 (0.40) | NPC1RAB9ACYP2D6CHRNB2CHRNA4 | |
| SCHEMBL5289149 | 0.87 | CYP2D6 (0.40) | NPC1RAB9ACYP2D6CHRNA7CHRM2 | |
| SCHEMBL5944496 | 0.86 | NPC1 (0.40) | NPC1RAB9AL3MBTL1CYP2D6TP53 | |
| SCHEMBL5944619 | 0.86 | NPC1 (0.40) | NPC1RAB9AL3MBTL1CYP2D6TP53 | |
| SCHEMBL5944652 | 0.86 | NPC1 (0.40) | NPC1RAB9AL3MBTL1CYP2D6TP53 | |
| SCHEMBL26458240 | 0.86 | NPC1 (0.40) | NPC1RAB9AL3MBTL1CYP2D6TP53 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0619300-B1 | Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides | BASF AG (DE) | 1996-12-27 | — | — | EP | disclosed |
| US-5510528-A | Preparation of halomethylbenzoly cyanides and novel halomethylbenzoyl cyanides | BASF AKTIENGESELLSCHAFT (DE) | 1996-04-23 | — | — | US | disclosed |
| US-5446199-A | Preparation of halomethylbenzoyl cyanides and novel halomethylbenzoyl cyanides | BASF AKTIENGESELLSCHAFT (DE) | 1995-08-29 | — | — | US | disclosed |
| EP-0619300-A2 | Process for the preparation of halogenmethylbenzoyl cyanides and halogenmethyl benzoylcyanides | BASF Aktiengesellschaft (DE) | 1994-10-12 | — | — | EP | disclosed |