Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | PTGER1 | P34995 | 3/20 | 0.41 |
| ▸ | PTGFR | P43088 | 3/20 | 0.41 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.41 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.41 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.41 |
| ▸ | FFAR1 | O14842 | 2/20 | 0.38 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL11657643 | 0.91 | PTGER1 (0.40) | KDM4EKMT2AALDH1A1PTGER1PTGFR | |
| SCHEMBL11658378 | 0.85 | TBXA2R (0.56) | PTGER1PTGFRPTGER3TBXA2RPTGDR | |
| SCHEMBL11661240 | 0.84 | TBXA2R (0.45) | KMT2APTGER1PTGFRPTGER3TBXA2R | |
| SCHEMBL11654409 | 0.81 | PTGER1 (0.46) | PTGER1PTGFRPTGER3TBXA2RPTGDR | |
| SCHEMBL11731250 | 0.80 | KDM4E (0.44) | KDM4EKMT2AALDH1A1PTGER1PTGFR | |
| SCHEMBL11654896 | 0.79 | GRM2 (0.39) | — | |
| SCHEMBL11662887 | 0.79 | TDP1 (0.46) | KMT2AALDH1A1PTGER1PTGFRPTGER3 | |
| SCHEMBL11661911 | 0.78 | PTGFR (0.46) | KMT2AALDH1A1PTGER1PTGFRPTGER3 | |
| SCHEMBL11657458 | 0.78 | CA1 (0.45) | FFAR1FFAR4 | |
| SCHEMBL11731240 | 0.78 | ALDH1A1 (0.43) | KDM4EKMT2AALDH1A1PTGER1PTGFR |
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-4020177-A | CONTRACEPTIVES | MERCK & CO., INC. (US) | 1977-04-26 | — | — | 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 |