Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PLK1 | P53350 | 1/20 | 0.61 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA1 | P00915 | 1/20 | 0.54 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | CA7 | P43166 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.54 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAOA | P21397 | 1/20 | 0.53 |
| ▸ | CYP4A11 | Q02928 | 3/20 | 0.53 |
| ▸ | RARB | P10826 | 1/20 | 0.53 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.51 |
| ▸ | THRA | P10827 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.51 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL570747 | 0.95 | ESR1 (0.59) | PLK1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL570964 | 0.90 | RARB (0.58) | SMN1; SMN2CA12CA1CA2ESR1 | |
| SCHEMBL6900234 | 0.89 | THRA (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL11393726 | 0.89 | THRA (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL6899814 | 0.89 | THRA (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL3796237 | 0.89 | THRA (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL12040863 | 0.89 | THRA (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL6123675 | 0.89 | THRA (0.59) | CA12CA1CA2ESR1CA7 | |
| SCHEMBL21656942 | 0.88 | ESR1 (0.51) | PLK1SMN1; SMN2CA12CA1CA2 | |
| SCHEMBL18821726 | 0.86 | MAPT (0.58) | PLK1SMN1; SMN2CA12CA1CA2 |
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-1069901-A4 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORP (US) | 2001-06-13 | — | — | EP | claimed |
| EP-1069901-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 2001-01-24 | — | — | EP | claimed |
| WO-1999051241-A1 | CALCILYTIC COMPOUNDS AND METHOD OF USE | SMITHKLINE BEECHAM CORPORATION (US) | 1999-10-14 | — | — | WO | claimed |