Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.60 |
| ▸ | CASP2 | P42575 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 5/20 | 0.37 |
| ▸ | CA6 | P23280 | 5/20 | 0.37 |
| ▸ | CA7 | P43166 | 5/20 | 0.37 |
| ▸ | CA9 | Q16790 | 5/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 5/20 | 0.37 |
| ▸ | CA5B | Q9Y2D0 | 5/20 | 0.37 |
| ▸ | CA2 | P00918 | 4/20 | 0.37 |
| ▸ | CA4 | P22748 | 4/20 | 0.37 |
| ▸ | CA5A | P35218 | 4/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.37 |
| ▸ | CA3 | P07451 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4449112 | 0.97 | — | — | |
| SCHEMBL8905793 | 0.93 | ESR1 (0.50) | ESR1CASP2CA12CA6CA7 | |
| SCHEMBL38234 | 0.89 | — | — | |
| SCHEMBL4983850 | 0.86 | ESR1 (0.67) | ESR1CASP2CA12CA6CA7 | |
| SCHEMBL20985200 | 0.86 | ESR1 (0.56) | ESR1CASP2CA12CA6CA7 | |
| SCHEMBL63306 | 0.86 | ESR1 (0.56) | ESR1CASP2CA12CA6CA7 | |
| SCHEMBL38044 | 0.82 | — | — | |
| SCHEMBL22017445 | 0.81 | CA12 (0.65) | ESR1CASP2CA12CA6CA7 | |
| SCHEMBL11225131 | 0.78 | — | — | |
| SCHEMBL7524242 | 0.78 | ESR1 (0.74) | ESR1CASP2CA12CA6CA7 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5688485-A | Radiolabelled complexes of ester-substituted diaminethiols | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1997-11-18 | — | — | US | disclosed |
| US-5431900-A | Ester-substituted diaminedithiols and radiolabeled complexes thereof | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-07-11 | — | — | US | disclosed |
| US-5279811-A | Ester-substituted diaminedithiols and radiolabeled complexes thereof | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-01-18 | — | — | US | disclosed |
| EP-0279417-B1 | ESTER-SUBSTITUTED DIAMINEDITHIOLS AND RADIOLABELED COMPLEXES THEREOF | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1992-05-20 | — | — | EP | disclosed |
| EP-0279417-A2 | Ester-substituted diaminedithiols and radiolabeled complexes thereof | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-08-24 | — | — | EP | disclosed |