Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARG | P37231 | 2/20 | 0.43 |
| ▸ | PPARD | Q03181 | 2/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CTSS | P25774 | 1/20 | 0.36 |
| ▸ | CTSK | P43235 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NQO1 | P15559 | 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 | |
|---|---|---|---|---|
| SCHEMBL5648390 | 0.86 | PPARG (0.44) | PPARGPPARDPPARACYP1A2MAOB | |
| SCHEMBL10944086 | 0.84 | FFAR1 (0.41) | PPARGPPARDPPARACYP1A2TDP1 | |
| SCHEMBL5986464 | 0.84 | LTA4H (0.42) | PPARGPPARDPPARATDP1L3MBTL1 | |
| SCHEMBL2561524 | 0.83 | ALDH1A1 (0.44) | L3MBTL1MAOBCTSSCTSKDRD2 | |
| SCHEMBL5327536 | 0.80 | NPC1 (0.41) | MAOB | |
| SCHEMBL5645717 | 0.78 | FFAR1 (0.43) | LMNAKMT2AMEN1 | |
| SCHEMBL9631899 | 0.77 | TUBB1 (0.44) | CYP1A2CYP2C19CTSSCTSKPOLB | |
| SCHEMBL7563021 | 0.77 | LMNA (0.43) | CYP1A2CYP2C19L3MBTL1MAOBLMNA | |
| Formaldehyde SCHEMBL7468983 | 0.76 | THRB (0.46) | L3MBTL1LMNAKMT2AMEN1 | |
| SCHEMBL20442679 | 0.75 | NQO1 (0.64) | CYP1A2TDP1LMNAPOLBKMT2A |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4155908-A | PSORIASIS, ANTICOAGULANTS | MERCK & CO., INC. (US) | 1979-05-22 | — | — | US | disclosed |
| US-4128564-A | 9-Thia- and oxothia- and 9-dioxothia-11,12-seco-prostaglandins | MERCK & CO., INC. (US) | 1978-12-05 | — | — | US | disclosed |
| US-4085125-A | 9-Thia-, 9-oxothia-, and 9-dioxothia-11,12-seco-prostaglandins and processes | MERCK & CO., INC. (US) | 1978-04-18 | — | — | US | disclosed |
| US-4066675-A | PSORIASIS, THROMBOSIS | MERCK & CO., INC. (US) | 1978-01-03 | — | — | US | disclosed |
| US-4018802-A | SKIN DISEASES, GROWTH HORMONE STIMULANTS, THROMBUS PREVENTION, IMMUNOLOGY | MERCK & CO., INC. (US) | 1977-04-19 | — | — | US | disclosed |