Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.42 |
| ▸ | EGLN3 | Q9H6Z9 | 1/20 | 0.42 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.35 |
| ▸ | GABRP | O00591 | 2/20 | 0.33 |
| ▸ | GABRD | O14764 | 2/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.33 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.33 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.33 |
| ▸ | GABRE | P78334 | 2/20 | 0.33 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.33 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.33 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL239930 | 0.94 | — | — | |
| SCHEMBL17186622 | 0.94 | — | — | |
| SCHEMBL408424 | 0.94 | — | — | |
| SCHEMBL27138000 | 0.80 | — | — | |
| SCHEMBL3102115 | 0.78 | — | — | |
| SCHEMBL16506925 | 0.78 | — | — | |
| SCHEMBL1519058 | 0.76 | TSHR (0.40) | TSHRTP53EGLN1EGLN3HCAR2 | |
| SCHEMBL5598957 | 0.76 | CYP1A2 (0.36) | — | |
| SCHEMBL13680309 | 0.74 | — | — | |
| SCHEMBL899316 | 0.74 | TSHR (0.44) | TSHRTP53EGLN1EGLN3HCAR2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6489354-B1 | IN PARTICULAR, THESE COMPOUNDS ARE USEFUL AS MODULATORS OF THE CHEMOKINE RECEPTORS CCR-3 AND/OR CCR-5 USEFUL IN THE TREATMENT AND PREVENTION OF ATOPIC CONDITIONS INCLUDING ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, AND ASTHMA | MERCK & CO., INC. | 2002-12-03 | — | — | US | disclosed |
| US-6372764-B1 | ANTIINFLAMMATORY AGENTS AND AIDS TREATMENT | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |
| WO-2000051610-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |
| WO-2000051609-A1 | 3-ALKYL SUBSTITUTED PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-09-08 | — | — | WO | disclosed |