Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 6/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 5/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 2/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 2/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 2/20 | 0.31 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | PRKCI | P41743 | 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 | |
|---|---|---|---|---|
| SCHEMBL28035043 | 0.73 | HTT (0.39) | ALDH1A1CYP1A2THRBCYP3A4MEN1 | |
| SCHEMBL2012336 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL2008998 | 0.70 | ALDH1A1 (0.42) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL28471616 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL286416 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL1605255 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL1097671 | 0.70 | CYP2A6 (0.42) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL4079696 | 0.70 | CYP2A6 (0.42) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL21179481 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 | |
| SCHEMBL4897405 | 0.70 | ALDH1A1 (0.39) | ALDH1A1CYP2A6HSD17B10TSHRTDP1 |
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-104540826-B | Spiro-fused piperidine derivatives useful as inhibitors of extrarenal potassium channels | 默沙东公司 | 2018-04-20 | — | — | CN | disclosed |