Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD3 | P35462 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.46 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6044544 | 0.77 | MAPT (0.51) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29175822 | 0.76 | ESR2 (0.42) | DRD3DRD2ESR1ESR2 | |
| SCHEMBL6854482 | 0.75 | CYP4F2 (0.46) | DRD3CA12CA1CA2CA7 | |
| SCHEMBL6861924 | 0.74 | CYP4F2 (0.57) | DRD3CA12CA1CA2CA7 | |
| SCHEMBL6498134 | 0.74 | ESR2 (0.45) | ESR1ESR2 | |
| SCHEMBL20928770 | 0.73 | KDM4E (0.44) | DRD3CA12CA1CA2CA7 | |
| SCHEMBL6863568 | 0.73 | CYP4F2 (0.47) | DRD3CA12CA1CA2CA7 | |
| SCHEMBL876503 | 0.73 | DRD3 (0.54) | DRD3CA12CA1CA2CA7 | |
| SCHEMBL30583242 | 0.73 | DRD3 (0.54) | DRD3CA12CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL6863563 | 0.73 | CYP4F2 (0.46) | DRD3CA12CA1CA2CA7 |
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-5756790-A | FROM KETONES | MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) | 1998-05-26 | — | — | US | disclosed |