Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.48 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.48 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.47 |
| ▸ | BLM | P54132 | 1/20 | 0.46 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.45 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.43 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL7140660 | 0.85 | CHRNB2 (0.50) | ALDH1A1SMN1; SMN2KDM4ECARM1PRMT6 | |
| SCHEMBL1041217 | 0.82 | TSHR (0.54) | ALDH1A1TSHRAOC3ADRA2BADRA2C | |
| SCHEMBL2645780 | 0.82 | ALDH1A1 (0.54) | ALDH1A1SMN1; SMN2KDM4ECARM1PRMT6 | |
| SCHEMBL6634828 | 0.81 | CARM1 (0.42) | ALDH1A1SMN1; SMN2KDM4ECARM1PRMT6 | |
| Dibemethine SCHEMBL10542007 | 0.81 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2KDM4ECARM1PRMT6 | |
| Dibemethine SCHEMBL276863 | 0.81 | ALDH1A1 (0.70) | ALDH1A1SMN1; SMN2KDM4ECARM1PRMT6 | |
| Dibemethine SCHEMBL2139708 | 0.79 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2KDM4ECARM1PRMT6 | |
| SCHEMBL6634552 | 0.78 | ADRA2B (0.44) | ALDH1A1KDM4ETSHRMAOAMAOB | |
| SCHEMBL921192 | 0.78 | NR1H2 (0.46) | ALDH1A1CARM1PRMT6PRMT8TSHR | |
| SCHEMBL27947941 | 0.78 | CARM1 (0.50) | CARM1PRMT6PRMT8LMNAMAOA |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0871444-A4 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 1999-01-13 | — | — | EP | claimed |
| US-5837719-A | USEFUL FOR TREATING CYTOKINE MEDIATED DISEASES, INFLAMMATION,SHOCK, ARTHRITIS, RESPIRATORY DISORDERS, THROMBOSIS, VIRAL INFECTION, GASTROINTESTINAL DISORDERS | MERCK & CO., INC. (US) | 1998-11-17 | — | — | US | claimed |
| EP-0871444-A1 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 1998-10-21 | — | — | EP | claimed |
| WO-1997016441-A1 | SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | claimed |
| WO-1997005878-A1 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-02-20 | — | — | WO | claimed |
| EP-0871444-A4 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO INC (US) | 1999-01-13 | — | — | EP | disclosed |
| US-5837719-A | USEFUL FOR TREATING CYTOKINE MEDIATED DISEASES, INFLAMMATION,SHOCK, ARTHRITIS, RESPIRATORY DISORDERS, THROMBOSIS, VIRAL INFECTION, GASTROINTESTINAL DISORDERS | MERCK & CO., INC. (US) | 1998-11-17 | — | — | US | disclosed |
| EP-0871444-A1 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | Merck & Co., Inc. (US) | 1998-10-21 | — | — | EP | disclosed |
| WO-1997016441-A1 | SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |
| WO-1997005878-A1 | 2,5-SUBSTITUTED ARYL PYRROLES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF USE | MERCK & CO., INC. (US) | 1997-02-20 | — | — | WO | disclosed |