Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.41 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GOT1 | P17174 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | HRH1 | P35367 | 1/20 | 0.31 |
| ▸ | VNN1 | O95497 | 1/20 | 0.31 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.30 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.30 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL12089089 | 0.78 | CYP1A2 (0.53) | CYP1A2CTDSP1NLRP3ALDH1A1GOT1 | |
| SCHEMBL20279237 | 0.75 | CYP1A2 (0.48) | CYP1A2CTDSP1NLRP3 | |
| SCHEMBL2958712 | 0.74 | CYP1A2 (0.50) | CYP1A2CTDSP1NLRP3GOT1CHRM1 | |
| SCHEMBL7986678 | 0.74 | CYP1A2 (0.54) | CYP1A2CTDSP1NLRP3GOT1CHRM1 | |
| SCHEMBL3150298 | 0.74 | — | — | |
| SCHEMBL24923647 | 0.73 | CYP1A2 (0.49) | CYP1A2CTDSP1NLRP3GOT1CHRM1 | |
| SCHEMBL20991055 | 0.72 | CYP1A2 (0.60) | CYP1A2CTDSP1NLRP3GOT1VNN1 | |
| SCHEMBL21946220 | 0.72 | CYP1A2 (0.68) | CYP1A2CTDSP1NLRP3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28366679 | 0.71 | CYP1A2 (0.66) | CYP1A2CTDSP1NLRP3MEN1KMT2A | |
| Hydrochloric Acid SCHEMBL28366682 | 0.71 | CYP1A2 (0.66) | CYP1A2CTDSP1NLRP3MEN1KMT2A |
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-105102458-B | Dihydropyrido pyrimidine compounds as autotaxin inhibitors | 伊莱利利公司 | 2017-05-17 | — | — | CN | disclosed |