Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | GBA1 | P04062 | 2/20 | 0.44 |
| ▸ | LCT | P09848 | 2/20 | 0.44 |
| ▸ | UGCG | Q16739 | 2/20 | 0.44 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.44 |
| ▸ | MGAM | O43451 | 1/20 | 0.44 |
| ▸ | SI | P14410 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | CA1 | P00915 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | TACR1 | P25103 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10654181 | 0.90 | KDM4E (0.51) | KDM4EPOLBTSHRGBA1LCT | |
| SCHEMBL9276198 | 0.85 | KDM4E (0.62) | KDM4EPOLBTSHRGBA1LCT | |
| SCHEMBL21068792 | 0.84 | TSHR (0.47) | KDM4EPOLBTSHRGBA1UGCG | |
| SCHEMBL9835876 | 0.82 | KDM4E (0.50) | KDM4EPOLBTSHRGBA1LCT | |
| SCHEMBL21328934 | 0.81 | ALDH1A1 (0.47) | KDM4EPOLBTSHRALDH1A1NPSR1 | |
| SCHEMBL27283541 | 0.80 | KDM4E (0.49) | KDM4EPOLBTSHRGBA1LCT | |
| SCHEMBL21328628 | 0.79 | ALDH1A1 (0.46) | KDM4EPOLBTSHRALDH1A1NPSR1 | |
| SCHEMBL20584494 | 0.79 | KDM4E (0.54) | KDM4EPOLBTSHRALDH1A1CA1 | |
| SCHEMBL8743637 | 0.78 | TSHR (0.52) | KDM4EPOLBTSHRALDH1A1CA1 | |
| SCHEMBL9565497 | 0.78 | KDM4E (0.62) | KDM4EPOLBTSHRALDH1A1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0215319-B1 | GEM-DIHALO-1,8-DIAMINO-4-AZA-OCTANES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1991-10-16 | — | — | EP | disclosed |
| US-4914240-A | PROTECTING DIHALO BUTANEDIOL, REACTING WITH POTASSIUM PHTHALIMINDE, DEPROTECTING; MULTISTEP | MERRELL DOW PHARMACEUTICALS INC. (US) | 1990-04-03 | — | — | US | disclosed |
| US-4851448-A | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1989-07-25 | — | — | US | disclosed |
| US-4695654-A | ANTITUMOR AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-09-22 | — | — | US | disclosed |
| EP-0215319-A2 | Gem-dihalo-1,8-diamino-4-aza-octanes | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-03-25 | — | — | EP | disclosed |