Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | EBP | Q15125 | 5/20 | 0.40 |
| ▸ | DHCR7 | Q9UBM7 | 5/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 4/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 3/20 | 0.38 |
| ▸ | HTR2C | P28335 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7923378 | 0.90 | ALDH1A1 (0.46) | ALDH1A1EBPDHCR7NPSR1CYP3A4 | |
| SCHEMBL7028921 | 0.76 | HTR2A (0.53) | HTR2AKCNH2HTR2C | |
| SCHEMBL16963836 | 0.70 | HTR2A (0.69) | HTR2AKCNH2HTR2C | |
| SCHEMBL27342995 | 0.69 | LTA4H (0.36) | HTR2AKCNH2HTR2C | |
| SCHEMBL7925677 | 0.68 | EBP (0.61) | ALDH1A1EBPDHCR7NPSR1KMT2A | |
| SCHEMBL5653130 | 0.68 | HTR2A (0.51) | ALDH1A1HTR2AKCNH2HTR2CMAPK1 | |
| SCHEMBL3007207 | 0.66 | SMN1; SMN2 (0.42) | ALDH1A1NPSR1KMT2AMEN1MAPK1 | |
| SCHEMBL22032830 | 0.66 | KMT2A (0.48) | ALDH1A1EBPDHCR7CYP3A4CYP2D6 | |
| SCHEMBL5512253 | 0.66 | HTR2A (0.53) | ALDH1A1NPSR1CYP2D6HTR2AKCNH2 | |
| SCHEMBL10797764 | 0.65 | APLNR (0.46) | EBPDHCR7HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| US-6184232-B1 | AMINE ADDUCT WHICH COMPETETIVELY BINDS WITH TARGET CELL COUNTERION AND FUNCTIONS DIFFERENTLY COMPARED TO NATURAL INTRACELLULAR POLYAMINES; ANTICARCINOGENIC AGENTS | UNIVERSITY OF FLORIDA | 2001-02-06 | — | — | US | disclosed |