Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFKB1 | P19838 | 1/20 | 0.42 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | TBXA2R | P21731 | 3/20 | 0.37 |
| ▸ | PTGFR | P43088 | 3/20 | 0.37 |
| ▸ | PTGER3 | P43115 | 3/20 | 0.37 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.37 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | PLA2G4B | P0C869 | 1/20 | 0.36 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | F7 | P08709 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11664100 | 1.00 | NFKB1 (0.42) | NFKB1NFKB2RELAFFAR1FFAR4 | |
| SCHEMBL11660315 | 0.88 | PTGFR (0.41) | NFKB1NFKB2RELAFFAR1FFAR4 | |
| SCHEMBL11661119 | 0.86 | NFKB1 (0.38) | NFKB1NFKB2RELAFFAR1FFAR4 | |
| SCHEMBL11654731 | 0.86 | NFKB1 (0.42) | NFKB1NFKB2RELAFFAR1FFAR4 | |
| SCHEMBL11656395 | 0.85 | PTGFR (0.44) | NFKB1NFKB2RELATBXA2RPTGFR | |
| SCHEMBL11661240 | 0.85 | TBXA2R (0.45) | FFAR1FFAR4TBXA2RPTGFRPTGER3 | |
| SCHEMBL11663400 | 0.83 | PTGFR (0.41) | NFKB1NFKB2RELATBXA2RPTGFR | |
| SCHEMBL11655953 | 0.83 | TSHR (0.45) | FFAR1FFAR4TBXA2RPTGFRPTGER3 | |
| SCHEMBL11661872 | 0.83 | PTGFR (0.41) | NFKB1NFKB2RELAFFAR1FFAR4 | |
| SCHEMBL11660406 | 0.83 | PTGFR (0.52) | NFKB1NFKB2RELATBXA2RPTGFR |
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 4 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 | claimed |
| 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 |