Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 3/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | APOBEC3A | P31941 | 1/20 | 0.35 |
| ▸ | EIF4H | Q15056 | 1/20 | 0.35 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8965989 | 0.98 | PABPC1 (0.37) | TRPA1CYP2D6PABPC1APOBEC3AEIF4H | |
| SCHEMBL8965229 | 0.98 | PABPC1 (0.37) | TRPA1CYP2D6PABPC1APOBEC3AEIF4H | |
| SCHEMBL8965383 | 0.87 | TRPA1 (0.36) | TRPA1CYP2D6APOBEC3AAPOBEC3GCHRNB4 | |
| SCHEMBL8054698 | 0.84 | PABPC1 (0.39) | CYP2D6PABPC1APOBEC3AEIF4HAPOBEC3G | |
| SCHEMBL8965696 | 0.80 | NPC1 (0.37) | TRPA1CYP2D6PABPC1APOBEC3AEIF4H | |
| SCHEMBL3686301 | 0.79 | LMNA (0.44) | TRPA1CYP2D6LMNAHTTCHRNB4 | |
| SCHEMBL8965968 | 0.79 | CYP2D6 (0.36) | CYP2D6PABPC1APOBEC3AEIF4HAPOBEC3G | |
| SCHEMBL8965910 | 0.79 | CYP2D6 (0.36) | CYP2D6PABPC1APOBEC3AEIF4HAPOBEC3G | |
| SCHEMBL8965334 | 0.78 | NPC1 (0.38) | CYP2D6PABPC1APOBEC3AEIF4HAPOBEC3G | |
| SCHEMBL8965111 | 0.78 | NPC1 (0.38) | CYP2D6PABPC1APOBEC3AEIF4HAPOBEC3G |
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 |