Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | TGM2 | P21980 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL29067514 | 0.85 | CA2 (0.49) | CA9KDM4EHDAC3HDAC4HDAC1 | |
| SCHEMBL29067540 | 0.81 | MEN1 (0.37) | CA9SMN1; SMN2EPHX1EPHX2HSD17B10 | |
| SCHEMBL29067523 | 0.81 | IDO1 (0.32) | CA12CA9IDO1 | |
| SCHEMBL29067511 | 0.81 | TGM2 (0.42) | CA12CA9TGM2TSHRSMN1; SMN2 | |
| SCHEMBL29067520 | 0.79 | CA1 (0.47) | TGM2SMN1; SMN2ALDH1A1ALOX12LMNA | |
| SCHEMBL30486181 | 0.79 | CA1 (0.47) | TGM2SMN1; SMN2ALDH1A1ALOX12LMNA | |
| SCHEMBL29067512 | 0.78 | RAB9A (0.38) | TDP1CA12CA9TSHRSMN1; SMN2 | |
| SCHEMBL5430418 | 0.77 | TDP1 (0.42) | TDP1CA12CA9TGM2TSHR | |
| SCHEMBL29067521 | 0.77 | TGM2 (0.46) | TDP1TGM2TSHRSMN1; SMN2TP53 | |
| SCHEMBL27855219 | 0.76 | TDP1 (0.36) | TDP1CA12CA9TGM2CYP1A2 |
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-116462598-B | Allyl arylamine compound and preparation method and application thereof | 成都市第二人民医院 | 2024-08-09 | — | — | CN | disclosed |
| CN-116462598-A | Allyl arylamine compound and preparation method and application thereof | 成都市第二人民医院 | 2023-07-21 | — | — | CN | disclosed |