Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 3/20 | 0.61 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.47 |
| ▸ | MEN1 | O00255 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CRHBP | P24387 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.45 |
| ▸ | SNCA | P37840 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL28069165 | 1.00 | NFE2L2 (0.61) | NFE2L2CYP19A1ALDH1A1TDP1TSHR | |
| SCHEMBL11212736 | 0.88 | NFE2L2 (0.61) | NFE2L2CYP19A1ALDH1A1TDP1TSHR | |
| SCHEMBL11212737 | 0.88 | NFE2L2 (0.61) | NFE2L2CYP19A1ALDH1A1TDP1TSHR | |
| SCHEMBL3247265 | 0.83 | NFE2L2 (0.63) | NFE2L2CYP19A1ALDH1A1TDP1TSHR | |
| SCHEMBL3247258 | 0.83 | NFE2L2 (0.63) | NFE2L2CYP19A1ALDH1A1TDP1TSHR | |
| SCHEMBL14506296 | 0.81 | CYP19A1 (0.54) | NFE2L2CYP19A1MAPTSNCARAB9A | |
| SCHEMBL9826818 | 0.81 | CYP19A1 (0.54) | NFE2L2CYP19A1MAPTSNCARAB9A | |
| SCHEMBL27811651 | 0.81 | CYP1A1 (0.60) | NFE2L2CYP19A1ALDH1A1TDP1CYP1A2 | |
| SCHEMBL31410688 | 0.81 | NFE2L2 (0.56) | NFE2L2CYP19A1ALDH1A1TDP1KMT2A | |
| SCHEMBL21473086 | 0.80 | ALDH1A1 (0.58) | NFE2L2CYP19A1ALDH1A1TDP1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105658635-B | Thieno naphthenic base or thieno heterocycle analog derivative, preparation method and its application in medicine | 江苏恒瑞医药股份有限公司 | 2019-03-08 | — | — | CN | disclosed |
| CN-105658635-A | Thienocycloalkyl or thienoheterocyclic derivatives, preparation method thereof and use thereof in medicine | 江苏恒瑞医药股份有限公司 | 2016-06-08 | — | — | CN | disclosed |