Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.41 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.37 |
| ▸ | TACR1 | P25103 | 2/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2051705 | 0.85 | HSPA5 (0.52) | ALDH1A1POLBHSPA5AKR1B1MPO | |
| SCHEMBL386760 | 0.79 | HSPA5 (0.46) | ALDH1A1POLBHSPA5AKR1B1MPO | |
| SCHEMBL18726535 | 0.79 | HSPA5 (0.46) | ALDH1A1POLBHSPA5AKR1B1MPO | |
| SCHEMBL8631879 | 0.79 | ALDH1A1 (0.45) | ALDH1A1CYP2D6TSHRTAAR1IDO1 | |
| SCHEMBL2389281 | 0.76 | SLC6A4 (0.58) | ALDH1A1POLBHSPA5MPOCYP2D6 | |
| SCHEMBL4223375 | 0.76 | AR (0.41) | ALDH1A1CYP2D6TSHRHIF1ATACR1 | |
| SCHEMBL6402700 | 0.73 | HRH3 (0.41) | ALDH1A1POLBHSPA5AKR1B1MPO | |
| SCHEMBL5675291 | 0.73 | GBA1 (0.57) | ALDH1A1 | |
| Bicarbonate SCHEMBL2854194 | 0.73 | GBA1 (0.52) | — | |
| SCHEMBL6403702 | 0.72 | ALDH1A1 (0.43) | ALDH1A1POLBHSPA5TAAR1HRH3 |
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-6313351-B1 | Process for producing alicyclic monoketones and process for producing alicyclic diketones | HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) | 2001-11-06 | — | — | US | disclosed |