Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | KDR | P35968 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | PPM1B | O75688 | 1/20 | 0.36 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.36 |
| ▸ | PPP1CC | P36873 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 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 | |
|---|---|---|---|---|
| SCHEMBL11333460 | 0.85 | PDK1 (0.42) | ALDH1A1LMNARAB9APDK1 | |
| SCHEMBL11330914 | 0.77 | TSHR (0.41) | ALDH1A1LMNACHRM1ESR1TSHR | |
| SCHEMBL11339966 | 0.76 | PDK1 (0.42) | ALDH1A1NPC1RAB9ASMN1; SMN2HSD17B10 | |
| SCHEMBL11395809 | 0.75 | CYP3A4 (0.41) | ALDH1A1LMNACHRM1TSHRCHRM2 | |
| SCHEMBL3891714 | 0.74 | TP53 (0.45) | ALDH1A1 | |
| SCHEMBL418069 | 0.73 | CHRM3 (0.45) | ALDH1A1LMNACHRM1PTPN1CHRM2 | |
| SCHEMBL2534660 | 0.73 | PPM1B (0.42) | ALDH1A1LMNACHRM1ESR1TSHR | |
| SCHEMBL7197439 | 0.72 | ALDH1A1 (0.50) | ALDH1A1LMNACHRM1ESR1TSHR | |
| SCHEMBL1826545 | 0.71 | — | — | |
| SCHEMBL9858356 | 0.71 | ALDH1A1 (0.46) | ALDH1A1LMNACHRM1ESR1TSHR |
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-4255588-A | Synthesis of cyclohexene dicarboxylic acid esters | GULF OIL CORPORATION (US) | 1981-03-10 | — | — | US | disclosed |