Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 4/20 | 0.63 |
| ▸ | CA12 | O43570 | 3/20 | 0.63 |
| ▸ | CA1 | P00915 | 3/20 | 0.63 |
| ▸ | CA2 | P00918 | 3/20 | 0.63 |
| ▸ | CA7 | P43166 | 3/20 | 0.63 |
| ▸ | CA9 | Q16790 | 3/20 | 0.63 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.63 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.63 |
| ▸ | TSHR | P16473 | 3/20 | 0.59 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.59 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.59 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.59 |
| ▸ | KDR | P35968 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MEN1 | O00255 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL6561309 | 0.90 | ESR1 (0.69) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL16020464 | 0.86 | ALDH1A1 (0.50) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL16627110 | 0.85 | TDP1 (0.53) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL31065663 | 0.83 | ESR1 (0.43) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL2652364 | 0.82 | LMNA (0.58) | TSHRALDH1A1SLC6A2TDP1KMT2A | |
| SCHEMBL5157212 | 0.82 | LMNA (0.70) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL12920511 | 0.82 | ESR1 (0.66) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL4910799 | 0.79 | MYC (0.39) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL5569526 | 0.79 | ESR1 (0.72) | ESR1CA12CA1CA2CA7 | |
| SCHEMBL19294789 | 0.79 | SNCA (0.43) | ESR1CA12CA1CA2CA7 |
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-5071965-A | NOVEL TC-99M COMPLEXES | MALLINCKRODT MEDICAL, INC. (US) | 1991-12-10 | — | — | US | disclosed |