Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 8/20 | 0.42 |
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | HTR2B | P41595 | 4/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9545504 | 0.83 | TSHR (0.61) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL11442401 | 0.81 | TSHR (0.47) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL11409542 | 0.80 | MAPT (0.50) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL9544931 | 0.80 | HTR2C (0.49) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL10509929 | 0.80 | GAA (0.46) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL9545358 | 0.80 | HPGD (0.57) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL2523355 | 0.79 | GAA (0.45) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL944430 | 0.77 | ALDH1A1 (0.48) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL2523426 | 0.77 | NPC1 (0.52) | TSHRGAAADRA2AADRA2BADRA2C | |
| SCHEMBL16341129 | 0.77 | GAA (0.48) | TSHRGAAADRA2AADRA2BADRA2C |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4355034-A | Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents | MERCK & CO., INC. (US) | 1982-10-19 | — | — | US | claimed |
| US-5028603-A | Platelet-Activating Factor Antagonist; Useful In Treatment Of Inflammatory Diseases, Allergic Diseases, Asthma, Respiratory System Disorders | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1991-07-02 | — | — | US | disclosed |
| EP-0316456-A1 | ESTER-SUBSTITUTED THIENOTRIAZOLODIAZEPINE COMPOUNDS AND THEIR MEDICINAL USE | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1989-05-24 | — | — | EP | disclosed |
| US-4618617-A | ANTIINFLAMMATORY, ANALGESIC AGENTS | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1986-10-21 | — | — | US | disclosed |
| US-4546106-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1985-10-08 | — | — | US | disclosed |
| US-4355034-A | Ethenyl derivatives of mercaptoalkylpyridines as anti-inflammatory agents | MERCK & CO., INC. (US) | 1982-10-19 | — | — | US | disclosed |
| US-4217352-A | ANTIARTHRITIC AGENT | MERCK & CO., INC. (US) | 1980-08-12 | — | — | US | disclosed |
| US-4212976-A | ANTIARTHRITIC AGENTS | MERCK & CO., INC. (US) | 1980-07-15 | — | — | US | disclosed |
| US-4144342-A | ANTIARTHRITIC AND ANTIINFLAMMATORY AGENTS | MERCK & CO., INC. (US) | 1979-03-13 | — | — | US | disclosed |
| US-4061759-A | ANTIINFLAMMATORY, ARTHRITIS | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4057637-A | RHEUMATOID ARTHRITIS | MERCK & CO., INC. (US) | 1977-11-08 | — | — | US | disclosed |
| US-3971797-A | ANTIARTHRITIC | MERCK & CO., INC. (US) | 1976-07-27 | — | — | US | disclosed |