Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 4/20 | 0.42 |
| ▸ | SOD1 | P00441 | 1/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.38 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.38 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28988613 | 1.00 | TRPV1 (0.46) | TRPV1ALDH1A1ALOX15ACHESOD1 | |
| SCHEMBL17138144 | 0.85 | ALDH1A1 (0.51) | ALDH1A1ALOX15ACHEELANECYP3A4 | |
| SCHEMBL28229956 | 0.85 | TRPV1 (0.41) | TRPV1ACHESOD1FFAR1TRPA1 | |
| SCHEMBL1790530 | 0.83 | ACHE (0.58) | TRPV1ALDH1A1ACHESOD1TRPA1 | |
| SCHEMBL10879586 | 0.81 | MAPT (0.50) | TRPV1ALDH1A1ALOX15LMNANR4A2 | |
| SCHEMBL28132597 | 0.80 | ACHE (0.44) | TRPV1ALDH1A1ACHESOD1TRPA1 | |
| SCHEMBL1791036 | 0.79 | CA2 (0.44) | TRPV1ALDH1A1ACHESOD1FFAR1 | |
| SCHEMBL8370146 | 0.78 | OGG1 (0.50) | TRPV1ALDH1A1ALOX15ACHE | |
| SCHEMBL7814632 | 0.78 | HPGD (0.49) | ALDH1A1ALOX15ACHEELANELMNA | |
| SCHEMBL17938485 | 0.78 | ALOX15 (0.59) | ALDH1A1ALOX15CYP3A4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-115974825-B | Method for preparing 3-substituted chromanone by metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2024-03-05 | — | — | CN | disclosed |
| CN-115974825-A | Method for preparing 3-substituted chromanone through metal-free catalytic hydrogenation | 中国科学院化学研究所 | 2023-04-18 | — | — | CN | disclosed |