Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDK1 | Q15118 | 3/20 | 0.43 |
| ▸ | MYC | P01106 | 3/20 | 0.43 |
| ▸ | MAX | P61244 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 1/20 | 0.40 |
| ▸ | PELP1 | Q8IZL8 | 1/20 | 0.40 |
| ▸ | EP300 | Q09472 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 3/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | AKR1C1 | Q04828 | 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 | |
|---|---|---|---|---|
| SCHEMBL11701710 | 0.84 | PDK1 (0.42) | PDK1MYCMAXTSHRKDM4E | |
| Trimethylammonium SCHEMBL11704053 | 0.83 | PDK1 (0.41) | PDK1MYCMAXTSHRKDM4E | |
| Iodide SCHEMBL11704061 | 0.83 | PDK1 (0.41) | PDK1MYCMAXTSHRKDM4E | |
| SCHEMBL11702968 | 0.83 | PDK1 (0.41) | PDK1MYCMAXTSHRKDM4E | |
| SCHEMBL11703265 | 0.81 | GPR35 (0.44) | PDK1TSHRKDM4EALDH1A1GAA | |
| SCHEMBL5691015 | 0.80 | TSHR (0.63) | MYCMAXTSHRKDM4EALDH1A1 | |
| SCHEMBL2002281 | 0.77 | VCAM1 (0.57) | PDK1KDM4EALDH1A1GAA | |
| SCHEMBL28126128 | 0.77 | LMNA (0.60) | PDK1TSHRALDH1A1HCAR3 | |
| SCHEMBL7268272 | 0.77 | PDK1 (0.46) | PDK1TSHRALDH1A1GAACASP6 | |
| SCHEMBL11705575 | 0.77 | KMT2A (0.50) | MYCMAXTSHRKDM4EALDH1A1 |
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-4011321-A | 6-(3-SUBSTITUTED AMINO-2-HYDROXYPROPOXYARYL)-4,5-DIHYDRO-3(2H)-PYRIDAZINONES | SMITH KLINE & FRENCH LABORATORIES LIMITED (EN) | 1977-03-08 | — | — | US | disclosed |