Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC13A5 | Q86YT5 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | S1PR4 | O95977 | 3/20 | 0.36 |
| ▸ | S1PR1 | P21453 | 3/20 | 0.36 |
| ▸ | S1PR3 | Q99500 | 3/20 | 0.36 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.35 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.35 |
| ▸ | S1PR2 | O95136 | 1/20 | 0.35 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27537745 | 0.85 | BLM (0.44) | CA1CA2CYP2C19 | |
| SCHEMBL27811153 | 0.85 | PPARA (0.42) | SLC13A5CA1CA2S1PR4S1PR1 | |
| SCHEMBL28989013 | 0.85 | PPARA (0.47) | CA1CA2S1PR4S1PR1S1PR3 | |
| SCHEMBL27454528 | 0.85 | LOXL2 (0.42) | SLC13A5S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL27593041 | 0.85 | ESRRG (0.42) | S1PR4S1PR1S1PR3CYP3A4CYP1A2 | |
| SCHEMBL27532961 | 0.84 | TAAR1 (0.40) | SPHK2LMNAPPARA | |
| SCHEMBL27987407 | 0.84 | MEN1 (0.42) | SLC13A5S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL27897855 | 0.84 | S1PR1 (0.47) | S1PR1 | |
| SCHEMBL27805748 | 0.84 | SPHK2 (0.36) | SLC13A5S1PR4S1PR1S1PR3S1PR5 | |
| SCHEMBL27848343 | 0.84 | SPHK2 (0.36) | SLC13A5S1PR4S1PR1S1PR3S1PR5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101228136-A | 2-cyano-pyrimidines and-triazines as cysteine protease inhibitors | NOVARTIS AG (CH) | 2008-07-23 | — | — | CN | disclosed |