Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DNMT1 | P26358 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | SOS1 | Q07889 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 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 | |
|---|---|---|---|---|
| SCHEMBL13207448 | 0.80 | ALDH1A1 (0.41) | DNMT1WDR5ALDH1A1TDP1CYP2A6 | |
| SCHEMBL367587 | 0.77 | DNMT1 (0.47) | DNMT1WDR5ALDH1A1TDP1CYP2A6 | |
| SCHEMBL30944688 | 0.77 | DNMT1 (0.47) | DNMT1WDR5ALDH1A1TDP1CYP2A6 | |
| SCHEMBL13301210 | 0.75 | HSD17B10 (0.48) | DNMT1WDR5ALDH1A1TDP1CYP2A6 | |
| SCHEMBL5417907 | 0.74 | ALDH1A1 (0.58) | DNMT1WDR5ALDH1A1TDP1CYP2A6 | |
| SCHEMBL22288173 | 0.71 | CYP1A2 (0.58) | ALDH1A1TDP1CYP2A6TSHRHSD17B10 | |
| Hydrochloric Acid SCHEMBL28386537 | 0.70 | ALDH1A1 (0.46) | DNMT1WDR5ALDH1A1TDP1CYP2A6 | |
| SCHEMBL9621332 | 0.70 | DPP4 (0.41) | ALDH1A1TDP1TSHRMAPTMEN1 | |
| SCHEMBL12629150 | 0.69 | DPP4 (0.34) | — | |
| SCHEMBL2049715 | 0.66 | DPP4 (0.60) | ALDH1A1CYP2A6HSD17B10KMT2AHPGD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013093472-A1 | A CONTINUOUS PROCESS FOR THE CARBONYLATION OF ETHYLENE | LUCITE INTERNATIONAL UK LIMITED (GB) | 2013-06-27 | — | — | WO | disclosed |