Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 1/20 | 0.33 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | ACLY | P53396 | 1/20 | 0.31 |
| ▸ | ESR1 | P03372 | 1/20 | 0.31 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | ACACB | O00763 | 1/20 | 0.30 |
| ▸ | ACACA | Q13085 | 1/20 | 0.30 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 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 | |
|---|---|---|---|---|
| SCHEMBL5076633 | 0.90 | CES2 (0.42) | FDPSCES2TSHR | |
| SCHEMBL9099589 | 0.90 | CES2 (0.42) | FDPSCES2TSHR | |
| SCHEMBL9324298 | 0.86 | ACLY (0.39) | ACLYALDH1A1ACACBACACA | |
| SCHEMBL11108272 | 0.83 | — | — | |
| SCHEMBL9322440 | 0.83 | ACLY (0.43) | ACLYACACBACACA | |
| SCHEMBL6328002 | 0.80 | FDPS (0.37) | FDPSACLYESR1ESR2ALDH1A1 | |
| SCHEMBL933244 | 0.79 | CYP4F2 (0.41) | ACLYALDH1A1ACACBACACALMNA | |
| SCHEMBL249872 | 0.74 | ACLY (0.56) | ACLYALDH1A1ACACBACACATSHR | |
| SCHEMBL29135457 | 0.72 | — | — | |
| SCHEMBL2106323 | 0.72 | FDPS (0.36) | FDPSESR1ESR2ALDH1A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5071636-A | Polyaminedithiol compounds; nuclear imaging of regional cerebral blood flow | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1991-12-10 | — | — | US | disclosed |
| EP-0322876-A2 | Chelating compounds and their use | NIHON MEDI-PHYSICS CO., LTD. (JP) | 1989-07-05 | — | — | EP | disclosed |