Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.33 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | NOS1 | P29475 | 2/20 | 0.33 |
| ▸ | BACE1 | P56817 | 2/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | XIAP | P98170 | 1/20 | 0.33 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.32 |
| ▸ | CYBB | P04839 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.32 |
| ▸ | HTR3B | O95264 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL117748 | 0.82 | — | — | |
| SCHEMBL29876609 | 0.82 | — | — | |
| Bromide SCHEMBL27585534 | 0.80 | — | — | |
| Cyanide SCHEMBL28325242 | 0.76 | NOS2 (0.44) | NOS3NOS2TSHRCYP3A4ALDH1A1 | |
| SCHEMBL1256448 | 0.76 | ALDH1A1 (0.42) | NOS3NOS2TSHRCYP3A4ALDH1A1 | |
| 2-Chloropyridine SCHEMBL28319891 | 0.69 | TDP1 (0.64) | TSHRALDH1A1RAB9APOLB | |
| Dimethylformamide SCHEMBL10814655 | 0.67 | CCR1 (0.48) | NOS3NOS2TSHRCYP3A4ALDH1A1 | |
| Dimethylformamide SCHEMBL28224251 | 0.67 | POLB (0.55) | TSHRALDH1A1RAB9APOLBHTR3E | |
| 1,2-Dichlorobenzene SCHEMBL28124693 | 0.66 | TSHR (0.53) | TSHRALDH1A1RAB9APOLB | |
| Formic Acid Methyl Ester SCHEMBL28484615 | 0.66 | CYP3A4 (0.45) | TSHRCYP3A4ALDH1A1HTR3EHTR3B |
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-103130735-B | Indole amine 2,3-dioxygenase regulator and usage thereof | 因塞特控股公司 | 2016-08-03 | — | — | CN | disclosed |