Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | KCNN4 | O15554 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KCNA3 | P22001 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.36 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29617470 | 0.79 | TSHR (0.53) | TSHRKCNN4LMNAALDH1A1KCNA3 | |
| SCHEMBL197704 | 0.79 | TSHR (0.53) | TSHRKCNN4LMNAALDH1A1KCNA3 | |
| SCHEMBL1117918 | 0.78 | KCNN4 (0.46) | TSHRKCNN4LMNAALDH1A1KCNA3 | |
| SCHEMBL6683582 | 0.78 | KCNN4 (0.46) | TSHRKCNN4LMNAALDH1A1KCNA3 | |
| SCHEMBL545869 | 0.77 | MAOB (0.37) | TSHRKCNN4LMNAALDH1A1CYP2A6 | |
| Fluoride SCHEMBL11730018 | 0.77 | TSHR (0.50) | TSHRKCNN4LMNAALDH1A1KCNA3 | |
| SCHEMBL4475144 | 0.77 | TSHR (0.50) | TSHRKCNN4LMNAALDH1A1KCNA3 | |
| Hydrochloric Acid SCHEMBL9269217 | 0.77 | TSHR (0.50) | TSHRKCNN4LMNAALDH1A1KCNA3 | |
| SCHEMBL27901573 | 0.76 | KCNN4 (0.45) | TSHRKCNN4LMNAALDH1A1CYP19A1 | |
| SCHEMBL11498640 | 0.76 | KCNN4 (0.45) | TSHRKCNN4LMNAALDH1A1KCNA3 |
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-0921115-B1 | Process for making aromatic nitriles | AMERICAN WRECKING CORP OF NEW (US) | 2003-09-03 | — | — | EP | disclosed |
| EP-0921115-A2 | Process for making aromatic nitriles | OCCIDENTAL CHEMICAL CORPORATION, Occidental Tower (US) | 1999-06-09 | — | — | EP | disclosed |
| US-5866709-A | Process for making aromatic nitriles | OCCIDENTAL CHEMICAL CORP (US) | 1999-02-02 | — | — | US | disclosed |
| US-4923485-A | WASHING | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-05-08 | — | — | US | disclosed |