Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.37 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL4057733 | 1.00 | GAA (0.43) | GAADHODHMEN1KMT2ACYP3A4 | |
| SCHEMBL4060396 | 0.82 | MEN1 (0.47) | GAADHODHMEN1KMT2ACYP3A4 | |
| SCHEMBL4060402 | 0.82 | MEN1 (0.47) | GAADHODHMEN1KMT2ACYP3A4 | |
| SCHEMBL4060291 | 0.77 | DHODH (0.43) | GAADHODHMEN1KMT2AMAPT | |
| SCHEMBL4058655 | 0.74 | NPSR1 (0.52) | GAAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4058649 | 0.74 | NPSR1 (0.52) | GAAMEN1KMT2AMAPTALDH1A1 | |
| SCHEMBL4059117 | 0.72 | NPSR1 (0.41) | GAAMEN1KMT2ACYP2D6MAPT | |
| SCHEMBL4059122 | 0.72 | NPSR1 (0.41) | GAAMEN1KMT2ACYP2D6MAPT | |
| SCHEMBL10249904 | 0.70 | NLRP3 (0.47) | GAAMEN1KMT2ANLRP3ALDH1A1 | |
| SCHEMBL4052216 | 0.70 | NPSR1 (0.38) | GAAMEN1KMT2ACYP2D6MAPT |
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 1 patent. 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 | disclosed |