Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.76 |
| ▸ | TSHR | P16473 | 1/20 | 0.76 |
| ▸ | LMNA | P02545 | 3/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.57 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | MAPT | P10636 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 2/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | MRGPRX4 | Q96LA9 | 2/20 | 0.54 |
| ▸ | PTGDR2 | Q9Y5Y4 | 2/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | PPARD | Q03181 | 1/20 | 0.48 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL4969304 | 0.89 | TDP1 (0.82) | TDP1TSHRMAPTMRGPRX4PTGDR2 | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL16197647 | 0.87 | TDP1 (1.00) | TDP1TSHRLMNAALDH1A1MAPT | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL9578938 | 0.87 | TDP1 (1.00) | TDP1TSHRLMNAALDH1A1MAPT | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL158138 | 0.87 | TDP1 (1.00) | TDP1TSHRLMNAALDH1A1MAPT | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL7448160 | 0.86 | TDP1 (0.69) | TDP1TSHRLMNAALDH1A1HPGD | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL11224813 | 0.86 | TDP1 (0.97) | TDP1TSHRLMNAALDH1A1MAPT | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL5400218 | 0.84 | TDP1 (0.94) | TDP1TSHRALDH1A1MAPTNPC1 | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL23250565 | 0.83 | TDP1 (0.91) | TDP1TSHRALDH1A1HPGDMAPT | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL17203456 | 0.83 | TDP1 (0.91) | TDP1TSHRALDH1A1HPGDMAPT | |
| 2,4-Dichlorophenoxyacetic Acid SCHEMBL3397959 | 0.83 | TDP1 (0.91) | TDP1TSHRALDH1A1HPGDMAPT |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1817311-A2 | 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | Merck & Co., Inc. (US) | 2007-08-15 | — | — | EP | disclosed |
| WO-2006057945-A2 | 2,3,4,6-SUBSTITUTED PYRIDYL DERIVATIVE COMPOUNDS USEFUL AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE | MERCK & CO., INC. (US) | 2006-06-01 | — | — | WO | disclosed |