Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDCD1 | Q15116 | 1/20 | 0.41 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | DNTT | P04053 | 1/20 | 0.39 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.39 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.37 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.36 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.36 |
| ▸ | GSK3B | P49841 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL4054818 | 1.00 | PDCD1 (0.41) | PDCD1CD274HTTL3MBTL1KDM4E | |
| SCHEMBL4061472 | 0.84 | DHODH (0.44) | HTTGAAMAPTALDH1A1POLB | |
| SCHEMBL4048528 | 0.84 | DHODH (0.44) | HTTGAAMAPTALDH1A1POLB | |
| SCHEMBL4057202 | 0.82 | MEN1 (0.50) | HTTKDM4EGAAMAPTGPR35 | |
| SCHEMBL4056870 | 0.82 | ALDH1A1 (0.44) | L3MBTL1KDM4EGAAMAPTALDH1A1 | |
| SCHEMBL4049872 | 0.82 | MAPT (0.50) | HTTKDM4EGAAMAPTALDH1A1 | |
| SCHEMBL4051074 | 0.82 | MAPT (0.50) | HTTKDM4EGAAMAPTALDH1A1 | |
| SCHEMBL4060289 | 0.82 | ALDH1A1 (0.44) | L3MBTL1KDM4EGAAMAPTALDH1A1 | |
| SCHEMBL4062017 | 0.82 | MEN1 (0.50) | HTTKDM4EGAAMAPTGPR35 | |
| SCHEMBL4061773 | 0.81 | MEN1 (0.49) | GAAMAPTALDH1A1POLBTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | claimed |
| WO-2009110655-A1 | NOVEL BETA SUBSTITUTED MORITA-BAYLIS-HILLMAN DERIVATIVES | SUNGKYUNKWAN UNIVERSITY FOUNDATION FOR CORPORATE COLLABORATION (KR) | 2009-09-11 | — | — | WO | disclosed |