Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL7145094 | 1.00 | CA1 (0.32) | CA1CA2CA9ALDH1A1TSHR | |
| SCHEMBL16850616 | 0.77 | — | — | |
| SCHEMBL15611822 | 0.76 | CA1 (0.33) | CA1CA2CA9ALDH1A1TSHR | |
| SCHEMBL28555437 | 0.76 | CA1 (0.33) | CA1CA2CA9ALDH1A1TSHR | |
| SCHEMBL28555438 | 0.76 | CA1 (0.33) | CA1CA2CA9ALDH1A1TSHR | |
| SCHEMBL8665073 | 0.63 | — | — | |
| SCHEMBL17781979 | 0.63 | — | — | |
| SCHEMBL26092461 | 0.63 | GRIK1 (0.39) | TSHR | |
| SCHEMBL396027 | 0.61 | — | — | |
| SCHEMBL2709596 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0998455-B1 | DIHOMO-SECO-CHOLESTANES WITH TWO UNSATURATED BONDS IN THE SIDE CHAIN | HOFFMANN LA ROCHE (CH) | 2003-10-01 | — | — | EP | disclosed |
| US-5994569-A | USEFUL IN THE TREATMENT OR PREVENTION OF VITAMIN D DEPENDENT DISORDERS AND OF IL-12-DEPENDENT AUTOIMMUNE DISEASES | HOFFMANN-LA ROCHE INC. (US) | 1999-11-30 | — | — | US | disclosed |
| US-5919986-A | SKIN DISORDERS; OSTEOPOROSIS; KIDNEY DISORDERS; MULTIPLE SCLEROSIS | HOFFMANN-LA ROCHE INC. (US) | 1999-07-06 | — | — | US | disclosed |