Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 10/20 | 0.48 |
| ▸ | LMNA | P02545 | 7/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.42 |
| ▸ | HTT | P42858 | 4/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | NPY1R | P25929 | 1/20 | 0.42 |
| ▸ | NPY2R | P49146 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6748623 | 1.00 | CES2 (0.50) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6748624 | 1.00 | CES2 (0.50) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6745002 | 1.00 | CES2 (0.50) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6748634 | 0.93 | MAPT (0.53) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6748632 | 0.93 | MAPT (0.53) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6746786 | 0.89 | MAPT (0.55) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6748814 | 0.89 | MAPT (0.55) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6748815 | 0.89 | MAPT (0.55) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6746788 | 0.89 | MAPT (0.55) | CES2CES1MAPTLMNAALDH1A1 | |
| SCHEMBL6746805 | 0.88 | MAPT (0.49) | CES2CES1MAPTLMNAALDH1A1 |
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-6713503-B1 | 1-(2,4-DIMETHYL-PHENYL)-2,4-DIHYDROXY-3-(4-METHYL-BENZOYL)-5-OXO-2,5 -DIHYDRO-1H-PYRROLE-2-CARBOXYLIC ACID METHYL ESTER | UNIVERSITY OF CENTRAL FLORIDA | 2004-03-30 | — | — | US | disclosed |
| US-6703426-B1 | 4-(4-CHLORO-PHENYL)-2,4-DIOXO-3- (PHENYL-HYDRAZONO)-BUTYRIC ACID ETHYL ESTER IS ADMINISTERED | UNIVERSITY OF CENTRAL FLORIDA | 2004-03-09 | — | — | US | disclosed |
| US-6602907-B1 | Treatment of breast cancer | UNIVERSITY OF CENTRAL FLORIDA | 2003-08-05 | — | — | US | disclosed |