Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR2 | P21452 | 11/20 | 0.58 |
| ▸ | TACR1 | P25103 | 2/20 | 0.58 |
| ▸ | CCR5 | P51681 | 2/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL8062838 | 1.00 | TACR2 (0.58) | TACR2TACR1CCR5 | |
| SCHEMBL8053331 | 0.94 | TACR2 (0.58) | TACR2TACR1CCR5 | |
| SCHEMBL8053327 | 0.94 | TACR2 (0.58) | TACR2TACR1CCR5 | |
| SCHEMBL8069589 | 0.94 | TACR2 (0.66) | TACR2TACR1 | |
| SCHEMBL8069588 | 0.94 | TACR2 (0.66) | TACR2TACR1 | |
| SCHEMBL8067322 | 0.93 | TACR2 (0.57) | TACR2TACR1CCR5 | |
| SCHEMBL8067326 | 0.93 | TACR2 (0.57) | TACR2TACR1CCR5 | |
| SCHEMBL8063712 | 0.93 | TACR2 (0.56) | TACR2TACR1CCR5 | |
| SCHEMBL8063716 | 0.93 | TACR2 (0.56) | TACR2TACR1CCR5 | |
| SCHEMBL8053525 | 0.92 | TACR2 (0.55) | TACR2TACR1CCR5 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998025605-A1 | SPIRO-SUBSTITUTED AZACYCLES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 1998-06-18 | — | — | WO | claimed |
| 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 |