Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C4 | P17516 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | BLM | P54132 | 1/20 | 0.35 |
| ▸ | WRN | Q14191 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | NAAA | Q02083 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | CCR6 | P51684 | 1/20 | 0.30 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL11834107 | 0.85 | PTGER2 (0.40) | AKR1C4AKR1C3AKR1C2ALDH1A1CYP1A2 | |
| SCHEMBL7719151 | 0.83 | AKR1C4 (0.39) | AKR1C4AKR1C3AKR1C2ALDH1A1HIF1A | |
| SCHEMBL8022057 | 0.83 | AKR1C4 (0.39) | AKR1C4AKR1C3AKR1C2ALDH1A1HIF1A | |
| SCHEMBL7717295 | 0.83 | AKR1C4 (0.39) | AKR1C4AKR1C3AKR1C2ALDH1A1HIF1A | |
| SCHEMBL7717242 | 0.83 | AKR1C4 (0.39) | AKR1C4AKR1C3AKR1C2ALDH1A1HIF1A | |
| SCHEMBL6857749 | 0.73 | NLRP3 (0.36) | AKR1C4AKR1C3AKR1C2CYP2D6NLRP3 | |
| SCHEMBL16579309 | 0.72 | AKR1C4 (0.59) | AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL13063220 | 0.72 | AKR1C4 (0.66) | AKR1C4AKR1C3AKR1C2 | |
| SCHEMBL11690459 | 0.70 | PTGER2 (0.50) | HPGDCYP2C19HIF1ANLRP3 | |
| SCHEMBL11690449 | 0.70 | PTGER2 (0.50) | HPGDCYP2C19HIF1ANLRP3 |
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-6114364-A | 2-((SUBSTITUTED)ALKYL(THIO, SULFONYL, OR SULFOXY)METHYL), 3-(CARBOXYL OR ALIPHATIC HYDROCARBONYL)CYCLOPENTAN-1-ONE DERIVATIVES, EXCEPT CYSTACYCLIN; USE AS NEURON DIFFERENTIATION ACCELERATOR | NIPPON KAYAKU CO., LTD. (JP) | 2000-09-05 | — | — | US | disclosed |