Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 3/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 2/20 | 0.38 |
| ▸ | PPARA | Q07869 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL11726046 | 0.91 | FAAH (0.40) | — | |
| SCHEMBL11729918 | 0.90 | LMNA (0.44) | ALDH1A1 | |
| SCHEMBL11852592 | 0.84 | ALDH1A1 (0.42) | ADRB2ALDH1A1L3MBTL1 | |
| SCHEMBL11725291 | 0.84 | TBXAS1 (0.43) | ADRB2PPARGPPARAALDH1A1L3MBTL1 | |
| SCHEMBL11730754 | 0.81 | LTA4H (0.45) | ALDH1A1 | |
| SCHEMBL11728048 | 0.81 | TBXA2R (0.40) | ADRB2ADRB1CA12CA2CA9 | |
| SCHEMBL11726905 | 0.81 | NPC1 (0.40) | NPC1 | |
| SCHEMBL11730097 | 0.80 | TBXA2R (0.51) | ADRB2ADRB1CA12CA2CA9 | |
| SCHEMBL11659250 | 0.80 | ADRB2 (0.42) | ADRB2ADRB1PPARGPPARAL3MBTL1 | |
| SCHEMBL11725963 | 0.80 | ADRB2 (0.40) | ADRB2ADRB1PPARGALDH1A1L3MBTL1 |
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 |