Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.37 |
| ▸ | KDM5A | P29375 | 1/20 | 0.37 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.37 |
| ▸ | KDM5B | Q9UGL1 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7527570 | 0.80 | CYP11B2 (0.47) | CYP1A2CYP2C9CYP2C19CYP2D6ALDH1A1 | |
| SCHEMBL11464004 | 0.75 | MEN1 (0.44) | CYP3A4HTTALDH1A1MAPTMEN1 | |
| SCHEMBL28105749 | 0.75 | KLKB1 (0.42) | HTTALDH1A1KDM4CNPSR1SMN1; SMN2 | |
| SCHEMBL7973673 | 0.75 | MEN1 (0.41) | CYP1A2CYP2C9CYP2C19CYP3A4GAA | |
| SCHEMBL29952188 | 0.74 | CCNC (0.40) | CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL327654 | 0.74 | CCNC (0.40) | CYP1A2CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL19126830 | 0.72 | SLC22A12 (0.44) | ALDH1A1KDM4EMAPTNPC1RAB9A | |
| SCHEMBL117895 | 0.70 | — | — | |
| SCHEMBL29954572 | 0.70 | — | — | |
| SCHEMBL1981719 | 0.69 | HTT (0.59) | CYP3A4HTTALDH1A1MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001009127-A1 | BENZOXAZINE DERIVATIVES AND THEIR THERAPEUTIC USE | AVENTIS PHARMA S.A. (FR) | 2001-02-08 | — | — | WO | disclosed |