Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR7 | P34969 | 4/20 | 0.36 |
| ▸ | KDR | P35968 | 2/20 | 0.33 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.33 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.32 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.32 |
| ▸ | HTR2C | P28335 | 1/20 | 0.32 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.32 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.31 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11446387 | 1.00 | HTR7 (0.36) | HTR7KDRSLC22A12FGFR2ADRA1D | |
| SCHEMBL18386511 | 0.79 | ABL1 (0.43) | — | |
| SCHEMBL23565686 | 0.73 | ADRA2A (0.42) | HTR7SLC22A12ADRA1DHTR2CADRA1A | |
| SCHEMBL12017799 | 0.70 | GAA (0.43) | KDRSLC22A12EGFRCRHR1CYP1A2 | |
| SCHEMBL12017843 | 0.67 | ATM (0.40) | HTR7SLC22A12ADRA1DHTR2CADRA1A | |
| SCHEMBL12788677 | 0.67 | SLC22A12 (0.40) | HTR7SLC22A12CRHR1CYP1A2CYP3A4 | |
| SCHEMBL19446092 | 0.67 | ATM (0.37) | SLC22A12CRHR1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL11465969 | 0.67 | ALDH1A1 (0.33) | — | |
| Bromide SCHEMBL11446398 | 0.66 | NPC1 (0.32) | — | |
| SCHEMBL17700237 | 0.65 | SLC22A12 (0.41) | HTR7SLC22A12CRHR1CYP1A2CYP3A4 |
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-4203988-A | ANTISECRETORY AGENTS | MERCK & CO., INC. (US) | 1980-05-20 | — | — | US | disclosed |