Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.39 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.39 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.38 |
| ▸ | CYP1A1 | P04798 | 3/20 | 0.37 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 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 | |
|---|---|---|---|---|
| SCHEMBL4058650 | 1.00 | CYP3A4 (0.39) | CYP3A4CYP1A2PTPN1CYP2C9TSHR | |
| SCHEMBL4060403 | 0.88 | CYP2C19 (0.40) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL4060400 | 0.88 | CYP2C19 (0.40) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL4059130 | 0.83 | ALDH1A1 (0.45) | GSK3B | |
| SCHEMBL4057738 | 0.72 | GAA (0.35) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL4057735 | 0.72 | GAA (0.35) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL4058655 | 0.67 | NPSR1 (0.52) | PTPN1MEN1KMT2AGSK3BCYP1A1 | |
| SCHEMBL4058649 | 0.67 | NPSR1 (0.52) | PTPN1MEN1KMT2AGSK3BCYP1A1 | |
| SCHEMBL8015531 | 0.67 | CYP2C19 (0.46) | CYP3A4CYP1A2CYP2C9TSHRCYP2C19 | |
| SCHEMBL4059127 | 0.67 | TET2 (0.32) | — |
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 |