Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 5/20 | 0.37 |
| ▸ | HTR1D | P28221 | 6/20 | 0.35 |
| ▸ | HTR1B | P28222 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.32 |
| ▸ | SCN10A | Q9Y5Y9 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.31 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28291611 | 0.89 | HTR1D (0.44) | KIF11HTR1DHTR1BALDH1A1HTR1A | |
| SCHEMBL27526971 | 0.82 | NR4A2 (0.44) | ALDH1A1KDM4EMAPTFFAR1GPR84 | |
| SCHEMBL27552422 | 0.81 | ALDH1A1 (0.35) | ALDH1A1KDM4EMAPTFFAR1GPR84 | |
| SCHEMBL28043663 | 0.81 | IMPDH2 (0.38) | ALDH1A1KDM4EMAPTFFAR1GPR84 | |
| SCHEMBL27785494 | 0.81 | HTR2C (0.40) | HTR1DHTR1BALDH1A1KDM4EMAPT | |
| SCHEMBL27528319 | 0.81 | CYP2A6 (0.51) | ALDH1A1KDM4EMAPTCYP2A6 | |
| SCHEMBL27550865 | 0.81 | NR4A2 (0.46) | ALDH1A1KDM4EMAPTGPR84MEN1 | |
| SCHEMBL28929780 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KDM4EMAPTHTR1AMEN1 | |
| SCHEMBL8957528 | 0.79 | KIF11 (0.45) | KIF11HTR1DHTR1BALDH1A1HTR1A | |
| SCHEMBL27891881 | 0.78 | ALDH1A1 (0.37) | ALDH1A1KDM4EMAPTFFAR1GPR84 |
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-109748840-A | A kind of synthetic method of 2- substituted indole derivative | 中国医学科学院药物研究所 | 2019-05-14 | — | — | CN | disclosed |