Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 7/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6692391 | 0.94 | SLC13A5 (0.49) | SLC13A5ALDH1A1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL6695081 | 0.94 | SLC13A5 (0.49) | SLC13A5ALDH1A1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL6302904 | 0.94 | SLC13A5 (0.49) | SLC13A5ALDH1A1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL8008239 | 0.84 | SLC13A5 (0.44) | SLC13A5 | |
| SCHEMBL7998719 | 0.82 | SLC13A5 (0.46) | SLC13A5ALDH1A1KDM4E | |
| SCHEMBL7998721 | 0.82 | SLC13A5 (0.46) | SLC13A5ALDH1A1KDM4E | |
| SCHEMBL8008297 | 0.81 | FFAR1 (0.57) | LMNAFFAR1 | |
| SCHEMBL8343697 | 0.81 | FFAR1 (0.57) | LMNAFFAR1 | |
| SCHEMBL6692548 | 0.81 | SLC13A5 (0.44) | SLC13A5ALDH1A1KMT2ACYP2D6CYP2C19 | |
| SCHEMBL6297597 | 0.81 | SLC13A5 (0.44) | SLC13A5ALDH1A1KMT2ACYP2D6CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| US-6380400-B1 | DIMETHYLTHIOCARBAMIC ACID ESTER; VIRICIDES | FEDIJ VICTOR (US) | 2002-04-30 | — | — | US | disclosed |
| WO-2000015625-A2 | METHODS OF MAKING DIHYDROPYRONE HIV PROTEASE INHIBITORS | WARNER-LAMBERT COMPANY (US) | 2000-03-23 | — | — | WO | disclosed |