Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | APOBEC3A | P31941 | 2/20 | 0.33 |
| ▸ | APOBEC3G | Q9HC16 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 3/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.32 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.32 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8965152 | 1.00 | NPC1 (0.34) | NPC1RAB9AALDH1A1APOBEC3AAPOBEC3G | |
| SCHEMBL9016844 | 0.85 | CYP2D6 (0.33) | NPC1RAB9AALDH1A1APOBEC3AAPOBEC3G | |
| SCHEMBL8965335 | 0.85 | CYP2D6 (0.33) | NPC1RAB9AALDH1A1APOBEC3AAPOBEC3G | |
| SCHEMBL8965968 | 0.80 | CYP2D6 (0.36) | NPC1RAB9AALDH1A1APOBEC3AAPOBEC3G | |
| SCHEMBL8965910 | 0.80 | CYP2D6 (0.36) | NPC1RAB9AALDH1A1APOBEC3AAPOBEC3G | |
| Bromide SCHEMBL23804883 | 0.77 | LTA4H (0.46) | NPC1RAB9AALDH1A1LTA4HCHRM2 | |
| SCHEMBL8054698 | 0.77 | PABPC1 (0.39) | NPC1RAB9AAPOBEC3AAPOBEC3GCYP2D6 | |
| SCHEMBL8965334 | 0.76 | NPC1 (0.38) | NPC1RAB9AAPOBEC3AAPOBEC3GCHRM2 | |
| SCHEMBL8965111 | 0.76 | NPC1 (0.38) | NPC1RAB9AAPOBEC3AAPOBEC3GCHRM2 | |
| SCHEMBL8965696 | 0.76 | NPC1 (0.37) | NPC1RAB9AAPOBEC3AAPOBEC3GCHRM2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0758643-B1 | Process for the preparation of ortho-nitro-benzonitriles | CLARIANT GMBH (DE) | 2000-05-17 | — | — | EP | disclosed |
| US-5705674-A | Process for preparing ortho-nitrobenzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | disclosed |
| EP-0758643-A2 | Process for the preparation of ortho-nitro-benzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-19 | — | — | EP | disclosed |
| 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 |