Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HRH1 | P35367 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL7633731 | 0.92 | ALDH1A1 (0.50) | ALDH1A1ATMHCAR2TSHRMAPT | |
| SCHEMBL17965769 | 0.91 | ALDH1A1 (0.54) | ALDH1A1ATMHCAR2TSHRHPGD | |
| Lithium SCHEMBL29456004 | 0.89 | ALDH1A1 (0.52) | ALDH1A1ATMHCAR2TSHRHPGD | |
| SCHEMBL27411448 | 0.89 | HDAC1 (0.48) | ALDH1A1TSHRMAPTTDP1CHRM1 | |
| SCHEMBL28070253 | 0.88 | MAPT (0.55) | ALDH1A1ATMHCAR2MAPTGPR84 | |
| SCHEMBL6564809 | 0.86 | ALDH1A1 (0.45) | ALDH1A1ATMHCAR2TSHRMAPT | |
| SCHEMBL5983037 | 0.86 | ALDH1A1 (0.45) | ALDH1A1ATMHCAR2TSHRMAPT | |
| SCHEMBL251336 | 0.86 | NAAA (0.48) | ALDH1A1HCAR2TSHRMAPTCA2 | |
| SCHEMBL11876606 | 0.85 | ALDH1A1 (0.52) | ALDH1A1ATMHCAR2TSHRMAPT | |
| SCHEMBL2123199 | 0.85 | ALDH1A1 (0.44) | ALDH1A1ATMHCAR2TSHRMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0344724-A2 | Metal radionuclide chelating compounds for improved chelation kinetics | NEORX CORPORATION (US) | 1989-12-06 | — | — | EP | disclosed |