Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 4/20 | 0.40 |
| ▸ | LMNA | P02545 | 4/20 | 0.40 |
| ▸ | SCN1A | P35498 | 3/20 | 0.40 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.40 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | MTOR | P42345 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL4060400 | 1.00 | CYP2C19 (0.40) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL4058650 | 0.88 | CYP3A4 (0.39) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4058658 | 0.88 | CYP3A4 (0.39) | CYP2C19CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4059130 | 0.85 | ALDH1A1 (0.45) | LMNAKDM4EHSD17B10ALDH1A1KIF11 | |
| SCHEMBL4057735 | 0.83 | GAA (0.35) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL4057738 | 0.83 | GAA (0.35) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL8015531 | 0.78 | CYP2C19 (0.46) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL27529902 | 0.76 | SMN1; SMN2 (0.44) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL19205720 | 0.75 | SCN5A (0.54) | CYP2C19LMNASCN1ASCN2ASCN3A | |
| SCHEMBL452703 | 0.74 | CES1 (0.49) | CYP2C19LMNASCN1ASCN2ASCN3A |
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 |