Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 17/20 | 0.65 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.47 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL18940105 | 0.88 | TSHR (0.54) | TACR1SLC6A4TSHR | |
| SCHEMBL8703206 | 0.84 | TSHR (0.50) | TACR1SLC6A4TSHR | |
| SCHEMBL2454671 | 0.84 | TSHR (0.50) | TACR1SLC6A4TSHR | |
| SCHEMBL14697067 | 0.83 | TSHR (0.48) | TACR1SLC6A4TSHR | |
| SCHEMBL28001061 | 0.80 | TACR1 (0.45) | TACR1SLC6A4TSHR | |
| Methoxymethane SCHEMBL3460742 | 0.80 | TACR1 (0.45) | TACR1SLC6A4TSHR | |
| SCHEMBL27953255 | 0.80 | TACR1 (0.64) | TACR1SLC6A4KCNH2 | |
| SCHEMBL1388435 | 0.79 | TACR1 (1.00) | TACR1SLC6A4KCNH2 | |
| SCHEMBL421897 | 0.79 | TACR1 (0.44) | TACR1TSHR | |
| Hydrochloric Acid SCHEMBL8121383 | 0.78 | TACR1 (0.97) | TACR1SLC6A4KCNH2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6498161-B1 | TREATING INFECTION BY HIV; DELAYING OF THE ONSET OF AIDS; ASTHMA, ALLERGIC RHINITIS, DERMATITIS, CONJUNCTIVITIS, ATHEROSCLEROSIS OR RHEUMATOID ARTHRITIS | MERCK & CO., INC. | 2002-12-24 | — | — | US | disclosed |
| WO-2000059498-A1 | PYRROLIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2000-10-12 | — | — | WO | disclosed |