Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP1 | P03956 | 1/20 | 0.34 |
| ▸ | MMP3 | P08254 | 1/20 | 0.34 |
| ▸ | CASR | P41180 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11669902 | 1.00 | MMP1 (0.34) | MMP1MMP3CASRABCB1NPC1 | |
| SCHEMBL11659250 | 0.83 | ADRB2 (0.42) | MMP1MMP3ABCB1NPC1 | |
| SCHEMBL11616886 | 0.80 | FFAR4 (0.40) | — | |
| SCHEMBL11616881 | 0.80 | FFAR4 (0.40) | — | |
| SCHEMBL11658907 | 0.79 | FAAH (0.41) | ABCB1NPC1 | |
| SCHEMBL11661240 | 0.79 | TBXA2R (0.45) | ABCB1NPC1 | |
| SCHEMBL11682115 | 0.73 | DNM1 (0.40) | ABCB1 | |
| SCHEMBL11750329 | 0.73 | FFAR4 (0.39) | — | |
| SCHEMBL11750324 | 0.73 | FFAR4 (0.39) | — | |
| SCHEMBL11664087 | 0.71 | TBXA2R (0.43) | ABCB1NPC1 |
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-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 |