Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | S100B | P04271 | 1/20 | 0.38 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.37 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.37 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL14107038 | 0.79 | CYP3A4 (0.50) | CA12CA1CA2MAPTS1PR1 | |
| SCHEMBL346399 | 0.79 | ALDH1A1 (0.53) | ALDH1A1MAPTTSHRALOX15HSD17B10 | |
| SCHEMBL13569447 | 0.79 | ALDH1A1 (0.42) | ALDH1A1S100BPRSS1PRSS2PRSS3 | |
| Hydrochloric Acid SCHEMBL2864667 | 0.77 | ALDH1A1 (0.50) | ALDH1A1MAPTTSHRALOX15HSD17B10 | |
| SCHEMBL7763414 | 0.76 | ALDH1A1 (0.43) | ALDH1A1S100BPRSS1PRSS2PRSS3 | |
| SCHEMBL10066014 | 0.74 | ALDH1A1 (0.42) | ALDH1A1S100BPRSS1PRSS2PRSS3 | |
| SCHEMBL4351797 | 0.72 | ALDH1A1 (0.45) | ALDH1A1PRSS1PRSS2PRSS3MAPT | |
| SCHEMBL14342076 | 0.71 | ALDH1A1 (0.48) | ALDH1A1MAPTS1PR1TSHRTDP1 | |
| SCHEMBL13412501 | 0.71 | IGLV6-57 (0.49) | ALDH1A1S100BMAPTS1PR1NPC1 | |
| SCHEMBL13049559 | 0.71 | ALDH1A1 (0.36) | ALDH1A1S100BPRSS1PRSS2PRSS3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116003336-A | 1,2, 4-triazole-3-amine compound, and preparation method and application thereof | 赣南师范大学 | 2023-04-25 | — | — | CN | disclosed |
| CN-112812040-B | Amidine acylhydrazone compound and preparation method thereof | 赣南师范大学 | 2023-03-31 | — | — | CN | disclosed |
| CN-112812040-A | Amidine acylhydrazone compound and preparation method thereof | 赣南师范大学 | 2021-05-18 | — | — | CN | disclosed |