Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 6/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.40 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.40 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | CHRNA10 | Q9GZZ6 | 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 | |
|---|---|---|---|---|
| SCHEMBL6783950 | 0.92 | TDP1 (0.45) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL15837553 | 0.92 | TDP1 (0.45) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL9152182 | 0.89 | TDP1 (0.43) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL13034086 | 0.89 | ALDH1A1 (0.48) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL15250900 | 0.89 | ALDH1A1 (0.48) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL25341455 | 0.87 | TDP1 (0.42) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL13623332 | 0.87 | TDP1 (0.42) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL476953 | 0.85 | TDP1 (0.41) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL22637478 | 0.85 | TDP1 (0.41) | ALDH1A1LMNATDP1HSD17B10TSHR | |
| SCHEMBL15542616 | 0.85 | ALDH1A1 (0.44) | ALDH1A1LMNATDP1HSD17B10TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-4124600-A | VAPOR PHASE REACTION OF 1,4-BUTANEDIOL MONOESTER, PHOSPHORIC ACID CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 1978-11-07 | — | — | US | disclosed |