Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.60 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CTRC | Q99895 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | MMP3 | P08254 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.43 |
| ▸ | CA2 | P00918 | 2/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KIF11 | P52732 | 1/20 | 0.43 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL10011381 | 1.00 | ALDH1A1 (0.60) | ALDH1A1TAAR1CYP1A2MAPK1CTRC | |
| Hydrochloric Acid SCHEMBL20240309 | 0.97 | ALDH1A1 (0.56) | ALDH1A1TAAR1CYP1A2MAPK1CTRC | |
| Fluoride SCHEMBL29262360 | 0.97 | ALDH1A1 (0.56) | ALDH1A1TAAR1CYP1A2MAPK1CTRC | |
| Biphenyl SCHEMBL6447246 | 0.90 | ALDH1A1 (0.64) | ALDH1A1TAAR1CYP1A2MAPK1CTRC | |
| Biphenyl SCHEMBL8393809 | 0.87 | ALDH1A1 (0.60) | ALDH1A1TAAR1CYP1A2MAPK1CTRC | |
| SCHEMBL9926565 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TAAR1CYP1A2MAPK1CTRC | |
| SCHEMBL20591163 | 0.84 | CYP1A2 (0.44) | ALDH1A1TAAR1CYP1A2MAPK1CTRC | |
| Biphenyl SCHEMBL27536544 | 0.83 | ACHE (0.50) | ALDH1A1TDP1MAPTSMN1; SMN2SLC22A2 | |
| Biphenyl SCHEMBL27456696 | 0.83 | MMP3 (0.70) | ALDH1A1TDP1MMP3BCL2L1CA1 | |
| Biphenyl SCHEMBL11854792 | 0.83 | CYP1A2 (0.70) | ALDH1A1CYP1A2CTRCSMN1; SMN2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119080833-A | Preparation method of 1,3, 5-tri (9-carbazolyl) benzene | 广东石油化工学院 | 2024-12-06 | — | — | CN | disclosed |
| CN-117304227-A | Preparation method of 2, 6-bis [2, 6-dialkoxyphenyl ] phenylphosphine | 广东石油化工学院 | 2023-12-29 | — | — | CN | disclosed |
| CN-115677766-A | Preparation method of phosphorus-containing photoelectric functional material | 江苏罗化新材料有限公司 | 2023-02-03 | — | — | CN | disclosed |
| CN-115677775-A | Preparation method of dibenzophospholane pentadiene compound with electroluminescence function | 江苏罗化新材料有限公司 | 2023-02-03 | — | — | CN | disclosed |