Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 2/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | NQO1 | P15559 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | ELANE | P08246 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21614225 | 0.97 | MAPT (0.45) | MAPTCYP2A6CYP1A2NQO1TDP1 | |
| SCHEMBL24595797 | 0.85 | KDM4E (0.41) | MAPTCYP2A6CYP1A2NQO1TDP1 | |
| Ammonia Solution, Strong SCHEMBL27658861 | 0.78 | SMN1; SMN2 (0.56) | CYP2A6CYP1A2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL7993295 | 0.76 | MAPT (0.46) | MAPTCYP2A6CYP1A2NQO1TDP1 | |
| SCHEMBL89446 | 0.75 | SMN1; SMN2 (0.58) | CYP2A6CYP1A2ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL23550746 | 0.73 | GPR3 (0.69) | MAPTCYP1A2ALDH1A1KDM4EGAA | |
| SCHEMBL4642683 | 0.73 | CYP2A6 (0.50) | MAPTCYP2A6CYP1A2NQO1TDP1 | |
| SCHEMBL29853846 | 0.73 | CYP2A6 (0.50) | MAPTCYP2A6CYP1A2NQO1TDP1 | |
| SCHEMBL1976533 | 0.73 | CYP2A6 (0.50) | MAPTCYP2A6CYP1A2NQO1TDP1 | |
| SCHEMBL28463321 | 0.71 | ALDH1A1 (0.56) | MAPTCYP2A6CYP1A2NQO1TDP1 |
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-111712246-A | Bis (hydroxymethyl) pyrrolophthalazine heterozygote, preparation method and application thereof | 中央研究院 | 2020-09-25 | — | — | CN | disclosed |