Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 10/20 | 0.67 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8091682 | 0.88 | SIGMAR1 (0.66) | SIGMAR1EPHX1EPHX2 | |
| Hydrochloric Acid SCHEMBL8092779 | 0.86 | SIGMAR1 (0.64) | SIGMAR1EPHX1EPHX2 | |
| SCHEMBL7392307 | 0.84 | SIGMAR1 (0.64) | SIGMAR1EPHX1EPHX2 | |
| SCHEMBL11020642 | 0.84 | SIGMAR1 (0.64) | SIGMAR1EPHX1EPHX2 | |
| SCHEMBL5087578 | 0.84 | SIGMAR1 (0.64) | SIGMAR1EPHX1EPHX2 | |
| SCHEMBL6049169 | 0.82 | SIGMAR1 (0.61) | SIGMAR1EPHX1EPHX2 | |
| SCHEMBL18435050 | 0.82 | SIGMAR1 (0.61) | SIGMAR1EPHX1 | |
| SCHEMBL4689462 | 0.82 | BCHE (0.62) | SIGMAR1EPHX2 | |
| SCHEMBL24429290 | 0.81 | SIGMAR1 (0.51) | SIGMAR1 | |
| SCHEMBL11300310 | 0.80 | SIGMAR1 (0.58) | SIGMAR1EPHX1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5705674-A | Process for preparing ortho-nitrobenzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1998-01-06 | — | — | US | 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 |