Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | TTR | P02766 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TDO2 | P48775 | 1/20 | 0.38 |
| ▸ | SHMT1 | P34896 | 1/20 | 0.38 |
| ▸ | SHMT2 | P34897 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.38 |
| ▸ | RORB | Q92753 | 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 | |
|---|---|---|---|---|
| SCHEMBL13638172 | 0.89 | ALDH1A1 (0.53) | ALDH1A1ALDH1A3HSD17B10MAPTGAA | |
| SCHEMBL26126461 | 0.86 | ALDH1A1 (0.50) | ALDH1A1ALDH1A3HSD17B10TTRMAPT | |
| SCHEMBL4035480 | 0.84 | ALDH1A1 (0.55) | ALDH1A1ALDH1A3HSD17B10KMT2ANPC1 | |
| SCHEMBL30185446 | 0.84 | ALDH1A1 (0.55) | ALDH1A1ALDH1A3HSD17B10KMT2ANPC1 | |
| SCHEMBL30185447 | 0.84 | ALDH1A1 (0.55) | ALDH1A1ALDH1A3HSD17B10KMT2ANPC1 | |
| SCHEMBL25613984 | 0.83 | ALDH1A1 (0.55) | ALDH1A1ALDH1A3HSD17B10KMT2ASMN1; SMN2 | |
| SCHEMBL13038063 | 0.83 | ESR2 (0.42) | ALDH1A1ALDH1A3HSD17B10GAAKMT2A | |
| SCHEMBL20545295 | 0.80 | ESR2 (0.42) | ALDH1A1ALDH1A3HSD17B10GAAKMT2A | |
| SCHEMBL30541268 | 0.80 | ESR2 (0.42) | ALDH1A1ALDH1A3HSD17B10GAAKMT2A | |
| SCHEMBL25382919 | 0.80 | TYR (0.47) | ALDH1A1ALDH1A3PTPN1MAPTHPGD |
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-117430570-A | Rhodamine acetic acid compound, and pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2024-01-23 | — | — | CN | disclosed |