Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 8/20 | 0.51 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | THRB | P10828 | 2/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | AKT2 | P31751 | 3/20 | 0.36 |
| ▸ | GABBR2 | O75899 | 3/20 | 0.35 |
| ▸ | GABBR1 | Q9UBS5 | 3/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL4691852 | 0.83 | ADRB2 (0.37) | CYP19A1ADRB2LMNACYP1A2THRB | |
| SCHEMBL5317668 | 0.83 | CYP19A1 (0.55) | CYP19A1CYP3A4CYP2C19SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL4691711 | 0.83 | ADRB2 (0.48) | ADRB2LMNACYP1A2THRBMAPT | |
| Hydrochloric Acid SCHEMBL5479398 | 0.81 | ADRB2 (0.35) | CYP19A1ADRB2LMNACYP1A2THRB | |
| Hydrochloric Acid SCHEMBL5483877 | 0.81 | ADRB2 (0.35) | CYP19A1ADRB2LMNACYP1A2THRB | |
| Hydrochloric Acid SCHEMBL5203095 | 0.80 | S1PR1 (0.40) | CYP19A1ADRB2LMNACYP1A2THRB | |
| SCHEMBL27668082 | 0.78 | TAAR1 (0.58) | ADRB2LMNACYP1A2THRBMAPT | |
| Hydrochloric Acid SCHEMBL5200363 | 0.77 | TAAR1 (0.56) | ADRB2LMNACYP1A2THRBGABBR2 | |
| Hydrochloric Acid SCHEMBL4688727 | 0.77 | CNR1 (0.35) | CYP19A1 | |
| Hydrochloric Acid SCHEMBL5263972 | 0.75 | DPP4 (0.34) | CYP19A1GABBR2GABBR1CYP3A4CYP2D6 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1496838-A4 | SUBSTITUTED AMIDES | MERCK & CO INC (US) | 2008-07-02 | — | — | EP | disclosed |
| EP-1663113-A4 | SUBSTITUTED SULFONAMIDES | MERCK & CO INC (US) | 2007-06-13 | — | — | EP | disclosed |
| EP-1490043-A4 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2007-05-30 | — | — | EP | disclosed |
| EP-1494997-A4 | SUBSTITUTED ARYL AMIDES | MERCK & CO INC (US) | 2007-04-11 | — | — | EP | disclosed |
| EP-1499306-A4 | BICYCLIC AMIDES | MERCK & CO INC (US) | 2007-03-28 | — | — | EP | disclosed |
| EP-1682494-A4 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO INC (US) | 2006-11-08 | — | — | EP | disclosed |
| EP-1682494-A1 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2006-07-26 | — | — | EP | disclosed |
| EP-1663113-A2 | SUBSTITUTED SULFONAMIDES | Merck & Co., Inc. (US) | 2006-06-07 | — | — | EP | disclosed |
| WO-2005044785-A1 | ARALKYL AMINES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2005-05-19 | — | — | WO | disclosed |
| WO-2005027837-A2 | SUBSTITUTED SULFONAMIDES | MERCK & CO., INC. (US) | 2005-03-31 | — | — | WO | disclosed |
| EP-1499306-A2 | BICYCLIC AMIDES | Merck & Co., Inc. (US) | 2005-01-26 | — | — | EP | disclosed |
| EP-1496838-A2 | SUBSTITUTED AMIDES | Merck & Co., Inc. (US) | 2005-01-19 | — | — | EP | disclosed |
| EP-1494997-A1 | SUBSTITUTED ARYL AMIDES | Merck & Co., Inc. (US) | 2005-01-12 | — | — | EP | disclosed |
| EP-1490043-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | Merck & Co., Inc. (US) | 2004-12-29 | — | — | EP | disclosed |
| WO-2003086288-A2 | BICYCLIC AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003087037-A1 | SUBSTITUTED ARYL AMIDES | MERCK & CO., INC. (US) | 2003-10-23 | — | — | WO | disclosed |
| WO-2003082190-A2 | SPIROCYCLIC AMIDES AS CANNABINOID RECEPTOR MODULATORS | MERCK & CO., INC. (US) | 2003-10-09 | — | — | WO | disclosed |
| WO-2003077847-A2 | SUBSTITUTED AMIDES | MERCK & CO., INC. (US) | 2003-09-25 | — | — | WO | disclosed |