Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.62 |
| ▸ | CES2 | O00748 | 1/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.61 |
| ▸ | TSHR | P16473 | 4/20 | 0.61 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 3/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | MEN1 | O00255 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | PKM | P14618 | 1/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL9306598 | 0.93 | CES2 (0.64) | CES1CES2ALDH1A1TSHRALOX15 | |
| Dinitrophenylene SCHEMBL27738809 | 0.89 | TSHR (0.77) | CES1CES2ALDH1A1TSHRALOX15 | |
| Dinitrophenylene SCHEMBL27918958 | 0.88 | TP53 (0.69) | CES1CES2ALDH1A1TSHRALOX15 | |
| SCHEMBL28435034 | 0.87 | LMNA (0.56) | CES1CES2ALDH1A1LMNAGAA | |
| Benzophenone SCHEMBL27673697 | 0.85 | CES2 (0.72) | CES1CES2ALDH1A1TSHRLMNA | |
| SCHEMBL4686670 | 0.85 | SRD5A2 (0.71) | CES1CES2ALDH1A1TSHRLMNA | |
| Phenol SCHEMBL27416283 | 0.85 | TP53 (0.65) | CES1CES2ALDH1A1TSHRALOX15 | |
| SCHEMBL730357 | 0.84 | LMNA (0.56) | CES1ALDH1A1LMNAGAAMAPT | |
| SCHEMBL3234327 | 0.82 | CES2 (0.68) | CES1CES2ALDH1A1TSHRLMNA | |
| Dinitrophenylene SCHEMBL27485738 | 0.81 | ALDH1A1 (0.77) | CES1CES2ALDH1A1TSHRALOX15 |
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-105732617-A | 7-azaindole derivatives | 默克专利股份公司 | 2016-07-06 | — | — | CN | disclosed |
| CN-105712991-A | 7-AZAINDOLE DERIVATIVES | 默克专利股份公司 | 2016-06-29 | — | — | CN | disclosed |