Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.43 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL388185 | 0.84 | CA12 (0.62) | HSD17B10ALDH1A1KMT2ACA12CA1 | |
| SCHEMBL29445512 | 0.84 | CA12 (0.62) | HSD17B10ALDH1A1KMT2ACA12CA1 | |
| Propionaldehyde SCHEMBL27675297 | 0.81 | ALDH1A1 (0.51) | HSD17B10ALDH1A1KMT2ACA12CA1 | |
| SCHEMBL10962956 | 0.79 | AKR1C3 (0.52) | HSD17B10 | |
| 1,4-Dimethoxybenzene SCHEMBL27728279 | 0.78 | NR1I2 (0.58) | CA12CA1CA2CA7CA9 | |
| SCHEMBL15682801 | 0.77 | KMT2A (0.55) | HSD17B10ALDH1A1KMT2ACA2MEN1 | |
| SCHEMBL31253943 | 0.75 | HSD17B10 (0.44) | HSD17B10ALDH1A1KMT2ANPC1CYP1A2 | |
| SCHEMBL14999429 | 0.75 | NQO1 (0.48) | ALDH1A1KMT2ACA12CA1CA2 | |
| SCHEMBL28763162 | 0.74 | PTPN1 (0.47) | HSD17B10ALDH1A1KMT2AMEN1TSHR | |
| 1,2,4-Trimethoxybenzene SCHEMBL29287616 | 0.74 | CA12 (0.67) | HSD17B10ALDH1A1KMT2ACA12CA1 |
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-101006061-A | 1,5-diphenylpyrazoles | MERCK PATENT GMBH (DE) | 2007-07-25 | — | — | CN | disclosed |