Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | SRC | P12931 | 2/20 | 0.48 |
| ▸ | ACP3 | P15309 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA4 | P22748 | 1/20 | 0.42 |
| ▸ | CA5A | P35218 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Chlorobenzene SCHEMBL6285547 | 0.85 | TSHR (0.65) | TSHRSRCACP3CA2CA4 | |
| Chlorobenzene SCHEMBL27462595 | 0.85 | TSHR (0.65) | TSHRSRCACP3CA2CA4 | |
| Chlorobenzene SCHEMBL31175844 | 0.85 | TSHR (0.65) | TSHRSRCACP3CA2CA4 | |
| Biphenyl SCHEMBL27383932 | 0.83 | SRC (0.50) | TSHRSRCACP3CA2CA4 | |
| Chlorobenzene SCHEMBL27645436 | 0.82 | TSHR (0.61) | TSHRSRCACP3CA2CA4 | |
| Chlorobenzene SCHEMBL2065913 | 0.82 | TSHR (0.61) | TSHRSRCACP3CA2CA4 | |
| Phenol SCHEMBL27726440 | 0.81 | CA2 (0.52) | TSHRSRCCA2CA4CA5A | |
| SCHEMBL1807900 | 0.77 | CYP1A2 (0.45) | TSHRALDH1A1HSD17B10CYP2C9CYP2C19 | |
| Chlorobenzene SCHEMBL28111876 | 0.76 | TSHR (0.69) | TSHRACP3CA2CA4CA5A | |
| Chlorobenzene SCHEMBL27774754 | 0.76 | ACP3 (0.53) | TSHRSRCACP3CA2CA4 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018025195-A1 | PROCESS FOR THE PREPARATION OF (Sp)-SOFOSBUVIR AND INTERMEDIATES THEREOF | ALEMBIC PHARMACEUTICALS LIMITED (IN) | 2018-02-08 | — | — | WO | disclosed |
| EP-0766685-A4 | ARYL, ALKYL, ALKENYL, AND ALKYNYLMACROLIDES | MERCK & CO INC (US) | 1997-07-16 | — | — | EP | disclosed |
| EP-0766685-A1 | ARYL, ALKYL, ALKENYL, AND ALKYNYLMACROLIDES | MERCK & CO. INC. (US) | 1997-04-09 | — | — | EP | disclosed |