Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | HTR2A | P28223 | 6/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 6/20 | 0.40 |
| ▸ | HTR2C | P28335 | 5/20 | 0.40 |
| ▸ | EBP | Q15125 | 4/20 | 0.39 |
| ▸ | DHCR7 | Q9UBM7 | 4/20 | 0.39 |
| ▸ | DRD2 | P14416 | 4/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.37 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.37 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.37 |
| ▸ | PRMT1 | Q99873 | 1/20 | 0.37 |
| ▸ | PRMT8 | Q9NR22 | 1/20 | 0.37 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7925685 | 0.90 | ALDH1A1 (0.43) | ALDH1A1NPSR1HTR2AKCNH2HTR2C | |
| SCHEMBL5653130 | 0.78 | HTR2A (0.51) | ALDH1A1HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL7028921 | 0.78 | HTR2A (0.53) | HTR2AKCNH2HTR2CDRD2 | |
| SCHEMBL18502936 | 0.72 | ALOX15 (0.46) | HTR2AKCNH2HTR2CDRD2PRMT3 | |
| Hydrochloric Acid SCHEMBL18668753 | 0.71 | ALOX15 (0.44) | HTR2AKCNH2HTR2CDRD2PRMT3 | |
| SCHEMBL5512253 | 0.70 | HTR2A (0.53) | ALDH1A1NPSR1HTR2AKCNH2HTR2C | |
| SCHEMBL19338256 | 0.68 | ALOX15 (0.41) | HTR2AKCNH2HTR2CPRMT3CARM1 | |
| SCHEMBL22032830 | 0.68 | KMT2A (0.48) | ALDH1A1EBPDHCR7CYP3A4CYP2D6 | |
| SCHEMBL7925677 | 0.67 | EBP (0.61) | ALDH1A1NPSR1EBPDHCR7KMT2A | |
| SCHEMBL22081215 | 0.66 | EBP (0.64) | ALDH1A1NPSR1EBPDHCR7DRD2 |
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 |