Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.46 |
| ▸ | RAD52 | P43351 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | RECQL | P46063 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL19954195 | 1.00 | CYP1A2 (0.53) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL10559849 | 0.89 | TDP1 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL171029 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL6645277 | 0.87 | CYP1A2 (0.56) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL19334592 | 0.83 | CYP1A2 (0.51) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL13995928 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL10864606 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL30729674 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL13995941 | 0.82 | CYP1A2 (0.55) | CYP1A2CYP2D6ALDH1A1NPSR1PKM | |
| SCHEMBL104748 | 0.81 | CYP1A2 (0.62) | CYP1A2CYP2D6ALDH1A1NPSR1PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496230-B1 | IRE-1 ALPHA INHIBITORS | FOSUN ORINOVE PHARMATECH INC (CN) | 2020-02-26 | — | — | EP | disclosed |
| US-9914740-B2 | Tricyclic pyrido-carboxamide derivatives as rock inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-03-13 | — | — | US | disclosed |