Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 6/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.40 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL11730754 | 0.89 | LTA4H (0.45) | — | |
| SCHEMBL11729965 | 0.88 | TBXAS1 (0.50) | TBXAS1ADRB2ADRB1ADRB3 | |
| SCHEMBL11730971 | 0.86 | ADRB2 (0.43) | ADRB2ADRB1ADRB3 | |
| SCHEMBL11722942 | 0.85 | TSHR (0.44) | ADRB2TSHR | |
| SCHEMBL11730159 | 0.85 | TBXA2R (0.45) | — | |
| SCHEMBL11852592 | 0.84 | ALDH1A1 (0.42) | TBXAS1ADRB2 | |
| SCHEMBL11726905 | 0.84 | NPC1 (0.40) | — | |
| SCHEMBL11730449 | 0.84 | CYSLTR2 (0.35) | — | |
| SCHEMBL11725475 | 0.84 | MAPK1 (0.46) | TSHR | |
| SCHEMBL11730044 | 0.84 | KDM4E (0.39) | — |
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-4055596-A | PHARMACEUTICALS | MERCK & CO., INC. (US) | 1977-10-25 | — | — | US | disclosed |
| US-3991106-A | FOR ESTRUS SYNCHRONIZATION AND TREATMENT OF INFERTILITY | MERCK & CO., INC. (US) | 1976-11-09 | — | — | US | disclosed |