Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.48 |
| ▸ | LTA4H | P09960 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 5/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL525095 | 0.85 | CYP2D6 (0.56) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL12743776 | 0.82 | CYP2D6 (0.59) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL27796930 | 0.76 | CYP2D6 (0.53) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL1097894 | 0.76 | CYP2D6 (0.48) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL27900738 | 0.76 | CYP2D6 (0.48) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL1097898 | 0.76 | ALDH1A1 (0.60) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL2001722 | 0.76 | CYP2D6 (0.48) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL11245903 | 0.76 | CYP2D6 (0.64) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL1870406 | 0.76 | CYP2D6 (0.48) | CYP2D6CYP3A4LTA4HNPC1SMN1; SMN2 | |
| SCHEMBL1623962 | 0.76 | TAAR1 (0.60) | CYP2D6CYP3A4LTA4HSMN1; SMN2KDM4E |
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-2007081091-A1 | RHODANDSE DERIVARIVES, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2007-07-19 | — | — | WO | disclosed |