Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 8/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.36 |
| ▸ | HDAC11 | Q96DB2 | 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 | |
|---|---|---|---|---|
| SCHEMBL2570877 | 0.78 | CYP1A2 (0.44) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL28342294 | 0.74 | CYP1A2 (0.50) | CYP1A2CYP2D6MAPTKMT2ATSHR | |
| SCHEMBL6363313 | 0.71 | HDAC3 (0.50) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL7288198 | 0.71 | CYP1A2 (0.48) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| SCHEMBL28014001 | 0.71 | CYP2D6 (0.44) | CYP1A2CYP2D6MAPTKMT2ATSHR | |
| Acetic Acid SCHEMBL28073831 | 0.70 | TSHR (0.70) | CYP1A2CYP2D6MAPTKMT2ATSHR | |
| SCHEMBL10512060 | 0.69 | TP53 (0.33) | TSHRALDH1A1LMNA | |
| SCHEMBL11715049 | 0.69 | CYP1A2 (0.54) | CYP1A2CYP2D6MAPTKMT2ATSHR | |
| SCHEMBL9286120 | 0.69 | CYP1A2 (0.45) | CYP1A2CYP2D6MAPTKMT2AKCNN4 | |
| Chlorotriphenylmethane SCHEMBL11023533 | 0.69 | CYP1A2 (0.54) | CYP1A2CYP2D6MAPTKMT2ATSHR |
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 |
|---|---|---|---|---|---|---|---|
| JP-57018668-A | — | — | None | — | — | JP | disclosed |
| JP-S5718668-A | PREPARATION OF 4-BENZOYL-5-HYDROXYPYRAZOLE COMPOUND | ISHIHARA SANGYO KAISHA LTD | 1982-01-30 | — | — | JP | disclosed |