Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.58 |
| ▸ | CA12 | O43570 | 1/20 | 0.54 |
| ▸ | CA9 | Q16790 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.53 |
| ▸ | CNR2 | P34972 | 3/20 | 0.53 |
| ▸ | CNR1 | P21554 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | BACE1 | P56817 | 1/20 | 0.48 |
| ▸ | BMP1 | P13497 | 1/20 | 0.48 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL8466425 | 0.87 | ESR1 (0.76) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL9188513 | 0.84 | ESR1 (0.57) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL8224221 | 0.83 | ESR1 (0.75) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL28029865 | 0.82 | CA12 (0.57) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL9189756 | 0.82 | ESR1 (0.54) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL14502622 | 0.81 | KEAP1 (0.66) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL9702124 | 0.81 | CNR2 (0.65) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL6204172 | 0.80 | ESR1 (0.55) | ESR1KMT2ACNR2CNR1MEN1 | |
| SCHEMBL9184943 | 0.80 | ESR1 (0.52) | ESR1CA12CA9KMT2ACNR2 | |
| SCHEMBL28245407 | 0.80 | ESR1 (0.55) | ESR1CA12CA9KMT2ACNR2 |
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-0497202-B1 | Polyamine thiols as radioprotective agents | MERRELL DOW PHARMA (US) | 1995-09-13 | — | — | EP | disclosed |
| US-5217964-A | POLYAMINE THIOLS AS RADIOPROTECTIVE AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1993-06-08 | — | — | US | disclosed |
| EP-0497202-A1 | Polyamine thiols as radioprotective agents | MERRELL DOW PHARMACEUTICALS INC. (US) | 1992-08-05 | — | — | EP | disclosed |