Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | INPP5D | Q92835 | 1/20 | 0.52 |
| ▸ | NPC1L1 | Q9UHC9 | 4/20 | 0.49 |
| ▸ | CDC25A | P30304 | 3/20 | 0.49 |
| ▸ | CDC25B | P30305 | 1/20 | 0.49 |
| ▸ | USP2 | O75604 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SRD5A1 | P18405 | 4/20 | 0.47 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.47 |
| ▸ | FNTA | P49354 | 2/20 | 0.47 |
| ▸ | FNTB | P49356 | 2/20 | 0.47 |
| ▸ | POLA1 | P09884 | 1/20 | 0.46 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.46 |
| ▸ | OSBP | P22059 | 1/20 | 0.46 |
| ▸ | RORC | P51449 | 1/20 | 0.46 |
| ▸ | OSBP2 | Q969R2 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL6687443 | 0.90 | CYP2D6 (0.59) | CYP2D6CYP2C19INPP5DNPC1L1CDC25A | |
| SCHEMBL27568855 | 0.90 | CYP2D6 (0.59) | CYP2D6CYP2C19INPP5DNPC1L1CDC25A | |
| SCHEMBL12987816 | 0.80 | CYP2D6 (0.65) | CYP2D6CYP2C19INPP5DNPC1L1CDC25A | |
| SCHEMBL23451210 | 0.78 | FNTA (0.61) | CYP2D6CYP2C19INPP5DNPC1L1CDC25A | |
| Octane SCHEMBL1954845 | 0.77 | CYP2D6 (0.65) | CYP2D6CYP2C19INPP5DNPC1L1CDC25A | |
| SCHEMBL12248265 | 0.76 | CYP2D6 (0.55) | CYP2D6CYP2C19INPP5DNPC1L1CDC25A | |
| Cholesterol SCHEMBL28419656 | 0.75 | OSBP (0.83) | NPC1L1USP2LMNAABCB1OSBP | |
| Cholesterol SCHEMBL4661901 | 0.75 | OSBP (0.83) | NPC1L1USP2LMNAABCB1OSBP | |
| Cholesterol SCHEMBL4661902 | 0.75 | OSBP (0.83) | NPC1L1USP2LMNAABCB1OSBP | |
| SCHEMBL27506460 | 0.75 | CYP2D6 (0.61) | CYP2D6CYP2C19INPP5DNPC1L1CDC25A |
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-2004073394-A2 | CHEMICAL COMPOSITE ATTRACTANT OF PREMOLTING FEMALE BLUE CRABS | EAST CAROLINA UNIVERSITY (US) | 2004-09-02 | — | — | WO | disclosed |