Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | KIF11 | P52732 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | HTR6 | P50406 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2543902 | 0.97 | CYP3A4 (0.58) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| Benzidine SCHEMBL7896409 | 0.97 | CYP3A4 (0.58) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| SCHEMBL20048273 | 0.97 | CYP3A4 (0.58) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| SCHEMBL525926 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL1154858 | 0.87 | TSHR (0.48) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| Ammonia Solution, Strong SCHEMBL11052046 | 0.87 | TSHR (0.48) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| Hydrochloric Acid SCHEMBL6010014 | 0.87 | TSHR (0.48) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| SCHEMBL5147226 | 0.84 | KIF11 (0.64) | CYP3A4ALDH1A1TP53KIF11HSD17B10 | |
| SCHEMBL7011380 | 0.83 | CYP3A4 (0.45) | CYP3A4ALDH1A1TDP1TP53KIF11 | |
| SCHEMBL8942483 | 0.82 | MAPT (0.61) | CYP3A4ALDH1A1TDP1TP53HSD17B10 |
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-117654548-A | Method for regenerating catalyst for producing diamino dicyclohexyl methane | 万华化学集团股份有限公司 | 2024-03-08 | — | — | CN | disclosed |