Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 7/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | P2RY1 | P47900 | 5/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.35 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | RXRA | P19793 | 1/20 | 0.35 |
| ▸ | RXRB | P28702 | 1/20 | 0.35 |
| ▸ | RXRG | P48443 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL30513618 | 1.00 | IDO1 (0.39) | IDO1TDP1ATMMAPTP2RY1 | |
| SCHEMBL30500977 | 0.82 | ALDH1A1 (0.48) | TDP1ATMMAPTP2RY1CYP1A2 | |
| SCHEMBL127278 | 0.82 | ALDH1A1 (0.48) | TDP1ATMMAPTP2RY1CYP1A2 | |
| SCHEMBL16177728 | 0.79 | TDP1 (0.40) | IDO1TDP1ATMMAPTP2RY1 | |
| SCHEMBL7040375 | 0.79 | IDO1 (0.41) | IDO1TDP1P2RY1ALDH1A1NR1I2 | |
| SCHEMBL16344881 | 0.77 | IDO1 (0.41) | IDO1TDP1ATMP2RY1CYP1A2 | |
| SCHEMBL7044342 | 0.75 | AR (0.40) | IDO1TDP1ATMMAPTALDH1A1 | |
| SCHEMBL12793242 | 0.73 | MRGPRX4 (0.43) | IDO1TDP1ATMP2RY1CYP1A2 | |
| SCHEMBL397028 | 0.72 | ALDH1A1 (0.48) | TDP1ATMMAPTP2RY1CYP1A2 | |
| SCHEMBL11429277 | 0.72 | SLC6A2 (0.47) | IDO1TDP1ATMP2RY1CYP1A2 |
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-116478197-A | Triarylboron derivative based on oxygen bridging, and preparation method and application thereof | 天津大学 | 2023-07-25 | — | — | CN | disclosed |