Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | TACR1 | P25103 | 3/20 | 0.42 |
| ▸ | GBA1 | P04062 | 2/20 | 0.42 |
| ▸ | LCT | P09848 | 2/20 | 0.42 |
| ▸ | UGCG | Q16739 | 2/20 | 0.42 |
| ▸ | GBA2 | Q9HCG7 | 2/20 | 0.42 |
| ▸ | MGAM | O43451 | 1/20 | 0.42 |
| ▸ | SI | P14410 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL9836769 | 0.82 | KDM4E (0.54) | KDM4EPOLBTSHRTACR1GBA1 | |
| SCHEMBL10654181 | 0.79 | KDM4E (0.51) | KDM4EPOLBTSHRTACR1GBA1 | |
| SCHEMBL18630911 | 0.79 | KDM4E (0.50) | KDM4EPOLBTSHRTACR1IDO1 | |
| SCHEMBL21328934 | 0.78 | ALDH1A1 (0.47) | KDM4EPOLBTSHRALDH1A1NPSR1 | |
| SCHEMBL9276198 | 0.78 | KDM4E (0.62) | KDM4EPOLBTSHRTACR1GBA1 | |
| SCHEMBL8743637 | 0.78 | TSHR (0.52) | KDM4EPOLBTSHRTACR1IDO1 | |
| SCHEMBL10661588 | 0.77 | TSHR (0.42) | KDM4EPOLBTSHRTACR1GBA1 | |
| SCHEMBL8157722 | 0.77 | ALDH1A1 (0.61) | KDM4EPOLBTSHRTACR1IDO1 | |
| SCHEMBL7871499 | 0.76 | TSHR (0.50) | KDM4EPOLBTSHRTACR1IDO1 | |
| SCHEMBL21328628 | 0.76 | ALDH1A1 (0.46) | KDM4EPOLBTSHRALDH1A1NPSR1 |
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 |