Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRB2 | P07550 | 1/20 | 0.42 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.42 |
| ▸ | PPARG | P37231 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | PPARA | Q07869 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL11658907 | 0.89 | FAAH (0.41) | LMNAPOLBMAPTNPSR1NPC1 | |
| SCHEMBL11661240 | 0.89 | TBXA2R (0.45) | LMNAPOLBMAPTNPSR1NPC1 | |
| SCHEMBL11669902 | 0.83 | MMP1 (0.34) | NPC1ABCB1MMP1MMP3 | |
| SCHEMBL11669901 | 0.83 | MMP1 (0.34) | NPC1ABCB1MMP1MMP3 | |
| SCHEMBL11682115 | 0.82 | DNM1 (0.40) | ABCB1 | |
| SCHEMBL11661911 | 0.81 | PTGFR (0.46) | PPARGLMNAPOLBMAPTNPSR1 | |
| SCHEMBL11735701 | 0.80 | ADRB2 (0.41) | ADRB2ADRB1PPARGL3MBTL1PPARA | |
| SCHEMBL11725963 | 0.80 | ADRB2 (0.40) | ADRB2ADRB1PPARGL3MBTL1LMNA | |
| SCHEMBL11655973 | 0.79 | PLA2G4B (0.40) | ADRB2ADRB1LMNAPOLBMAPT | |
| SCHEMBL11662683 | 0.78 | MMP1 (0.38) | LMNAPOLBMAPTNPSR1NPC1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4126629-A | FERTILITY CONTROL | MERCK & CO., INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4061643-A | ANTIFERTILITY | MERCK & CO., INC. (US) | 1977-12-06 | — | — | US | disclosed |
| US-4020177-A | CONTRACEPTIVES | MERCK & CO., INC. (US) | 1977-04-26 | — | — | US | disclosed |