Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 2/20 | 0.45 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.37 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.37 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | SCD5 | Q86SK9 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7775675 | 0.98 | EPHX1 (0.46) | EPHX1CES2CES1TSHRGRM5 | |
| SCHEMBL28651494 | 0.80 | EPHX1 (0.67) | EPHX1CES2CES1TSHRHPGD | |
| SCHEMBL28653440 | 0.79 | HDAC4 (0.46) | EPHX1TSHRPARP1POLBTDP1 | |
| SCHEMBL28633135 | 0.79 | EPHX1 (0.43) | EPHX1TSHRPARP1 | |
| SCHEMBL30349638 | 0.79 | TSHR (0.45) | EPHX1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL7775657 | 0.79 | RIPK1 (0.46) | EPHX1CES2CES1TSHRPARP1 | |
| SCHEMBL30349443 | 0.79 | TSHR (0.45) | EPHX1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL3207241 | 0.79 | TSHR (0.45) | EPHX1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL3207235 | 0.79 | TSHR (0.45) | EPHX1TSHRALDH1A1POLBNPC1 | |
| SCHEMBL7775658 | 0.79 | RIPK1 (0.46) | EPHX1CES2CES1TSHRPARP1 |
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-107892666-B | 5-phenylpyrrole derivative and preparation method and application thereof | 吉林医药学院 | 2021-10-15 | — | — | CN | disclosed |