Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.68 |
| ▸ | CA1 | P00915 | 1/20 | 0.68 |
| ▸ | CA2 | P00918 | 1/20 | 0.68 |
| ▸ | CA9 | Q16790 | 1/20 | 0.68 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.65 |
| ▸ | MAPT | P10636 | 7/20 | 0.65 |
| ▸ | LMNA | P02545 | 4/20 | 0.65 |
| ▸ | MEN1 | O00255 | 2/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.65 |
| ▸ | GAA | P10253 | 1/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.65 |
| ▸ | GFER | P55789 | 1/20 | 0.65 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.65 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.65 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.65 |
| ▸ | HPGD | P15428 | 1/20 | 0.63 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.58 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL2005010 | 0.90 | CA12 (0.81) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6155216 | 0.85 | CA12 (0.68) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL20851307 | 0.85 | UCHL1 (0.61) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL11705580 | 0.85 | MEN1 (0.86) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL9001311 | 0.85 | CA12 (0.72) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL3367872 | 0.81 | MEN1 (0.73) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL94977 | 0.81 | CA12 (0.68) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL2136408 | 0.81 | CES1 (0.81) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL6831830 | 0.81 | CA12 (0.68) | CA12CA1CA2CA9ALDH1A1 | |
| SCHEMBL7565259 | 0.81 | CA1 (0.73) | CA12CA1CA2CA9ALDH1A1 |
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 |