Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.50 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CES2 | O00748 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | CES1 | P23141 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL4062017 | 1.00 | MEN1 (0.50) | MEN1KMT2AMAPTLMNANPSR1 | |
| SCHEMBL4048528 | 0.88 | DHODH (0.44) | MEN1KMT2AMAPTLMNANPSR1 | |
| SCHEMBL4061472 | 0.88 | DHODH (0.44) | MEN1KMT2AMAPTLMNANPSR1 | |
| SCHEMBL4049872 | 0.85 | MAPT (0.50) | MEN1KMT2AMAPTLMNANPSR1 | |
| SCHEMBL4051074 | 0.85 | MAPT (0.50) | MEN1KMT2AMAPTLMNANPSR1 | |
| SCHEMBL4060289 | 0.85 | ALDH1A1 (0.44) | MEN1KMT2AMAPTLMNANPSR1 | |
| SCHEMBL4056870 | 0.85 | ALDH1A1 (0.44) | MEN1KMT2AMAPTLMNANPSR1 | |
| SCHEMBL4051755 | 0.85 | MEN1 (0.49) | MEN1KMT2AMAPTLMNAMAPK1 | |
| SCHEMBL4061773 | 0.85 | MEN1 (0.49) | MEN1KMT2AMAPTLMNAMAPK1 | |
| SCHEMBL4058816 | 0.82 | PDCD1 (0.41) | MAPTGAAKDM4ETDP1ALDH1A1 |
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 |