Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 2/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | FNTA | P49354 | 1/20 | 0.52 |
| ▸ | FNTB | P49356 | 1/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | MAOA | P21397 | 1/20 | 0.50 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.50 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.47 |
| ▸ | HCAR2 | Q8TDS4 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8616037 | 1.00 | PDPK1 (0.68) | PDPK1CYP1A2FNTAFNTBKDM4E | |
| SCHEMBL5236795 | 0.84 | CYP1A2 (0.68) | PDPK1CYP1A2FNTAFNTBKDM4E | |
| SCHEMBL6515248 | 0.82 | ALDH1A1 (0.68) | PDPK1KDM4ESMN1; SMN2MAPTSLC6A3 | |
| SCHEMBL6521611 | 0.82 | ALDH1A1 (0.68) | PDPK1KDM4ESMN1; SMN2MAPTSLC6A3 | |
| SCHEMBL6515245 | 0.82 | ALDH1A1 (0.68) | PDPK1KDM4ESMN1; SMN2MAPTSLC6A3 | |
| SCHEMBL656458 | 0.81 | PDPK1 (1.00) | PDPK1CYP1A2FFAR1HDAC1HDAC8 | |
| SCHEMBL656457 | 0.81 | PDPK1 (1.00) | PDPK1CYP1A2FFAR1HDAC1HDAC8 | |
| SCHEMBL656456 | 0.81 | PDPK1 (1.00) | PDPK1CYP1A2FFAR1HDAC1HDAC8 | |
| SCHEMBL659544 | 0.79 | PDPK1 (0.86) | PDPK1CYP1A2FFAR1HDAC1HDAC8 | |
| SCHEMBL659543 | 0.79 | PDPK1 (0.86) | PDPK1CYP1A2FFAR1HDAC1HDAC8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719303-A | USEFUL FOR MEDICALLY TREATING HYPERLIPEMIA | EISAI CO., LTD. (JP) | 1998-02-17 | — | — | US | disclosed |
| EP-0688325-A1 | PHOSPHONIC ACID DERIVATIVES | Eisai Co., Ltd. (JP) | 1995-12-27 | — | — | EP | disclosed |
| WO-1994020508-A1 | PHOSPHONIC ACID DERIVATIVES | EISAI CO., LTD. (JP) | 1994-09-15 | — | — | WO | disclosed |