Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 4/20 | 0.43 |
| ▸ | CCR2 | P41597 | 7/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 4/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | NNMT | P40261 | 1/20 | 0.35 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062563 | 0.90 | TACR1 (0.39) | TACR1CCR2KCNH2VNN1SLC6A9 | |
| SCHEMBL8069509 | 0.80 | RHOC (0.43) | TACR1 | |
| SCHEMBL8879740 | 0.80 | RHOC (0.43) | TACR1 | |
| SCHEMBL8882416 | 0.76 | MCHR1 (0.42) | TACR1KCNH2 | |
| SCHEMBL8565826 | 0.76 | MCHR1 (0.42) | TACR1KCNH2 | |
| SCHEMBL8064767 | 0.74 | TACR1 (0.39) | TACR1VNN1CES2TRPA1 | |
| SCHEMBL8560068 | 0.72 | MCHR1 (0.39) | TACR1CES2 | |
| SCHEMBL8560072 | 0.72 | MCHR1 (0.39) | TACR1CES2 | |
| SCHEMBL8582278 | 0.71 | CCR2 (0.44) | TACR1CCR2KCNH2VNN1CES2 | |
| SCHEMBL8579707 | 0.70 | TACR1 (0.43) | TACR1CCR2KCNH2VNN1NNMT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6013652-A | ANTIINFLAMMATORY AGENTS; ANALGESICS; ANTIHISTAMINES | MERCK & CO., INC. (US) | 2000-01-11 | — | — | US | disclosed |
| US-5962462-A | COMPOUNDS WHICH INHIBIT THE ENTRY OF HUMAN IMMUNODEFICIENCY VIRUS (HIV) INTO TARGET CELLS; DELAYING THE ONSET OF ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS). | MERCK & CO., INC. (US) | 1999-10-05 | — | — | US | disclosed |
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | disclosed |
| EP-0702681-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO. INC. (US) | 1996-03-27 | — | — | EP | disclosed |
| WO-1994029309-A1 | SPIRO-SUBSTITUTED AZACYCLES AS NEUROKININ ANTAGONISTS | MERCK & CO., INC. (US) | 1994-12-22 | — | — | WO | disclosed |