Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTRB1 | P17538 | 2/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | ITGB3 | P05106 | 9/20 | 0.52 |
| ▸ | ITGA2B | P08514 | 9/20 | 0.52 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL8612085 | 1.00 | CTRB1 (0.60) | CTRB1GAARAB9AITGB3ITGA2B | |
| SCHEMBL7301416 | 0.91 | CTRB1 (0.64) | CTRB1ITGB3ITGA2BCYP3A4CYP1A2 | |
| SCHEMBL9484576 | 0.91 | CTRB1 (0.64) | CTRB1ITGB3ITGA2BCYP3A4CYP1A2 | |
| SCHEMBL3126256 | 0.91 | ITGB3 (0.58) | CTRB1ITGB3ITGA2BMAPTL3MBTL1 | |
| SCHEMBL8775071 | 0.91 | CTRB1 (0.57) | CTRB1ITGB3ITGA2BMAPTL3MBTL1 | |
| SCHEMBL8573642 | 0.88 | MAPT (0.52) | CTRB1RAB9AITGB3ITGA2BMAPT | |
| SCHEMBL5551626 | 0.88 | CTRB1 (0.60) | CTRB1ITGB3ITGA2BMAPTCYP3A4 | |
| SCHEMBL3134015 | 0.88 | ATM (0.62) | CTRB1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL11581174 | 0.88 | ATM (0.62) | CTRB1CYP3A4CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL1051352 | 0.87 | CTRB1 (0.76) | CTRB1CYP3A4CYP1A2CYP2D6CYP2C9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0680467-B1 | PROCESS FOR PREPARING C-SUBSTITUTED DIETHYLENE TRIAMINES | SCHERING AG (DE) | 1998-04-22 | — | — | EP | disclosed |
| US-5654467-A | Process for the production of C-substituted diethylenetriamines | SCHERING AKTIENGESELLSCHAFT (DE) | 1997-08-05 | — | — | US | disclosed |
| EP-0680467-A1 | PROCESS FOR PREPARING C-SUBSTITUTED DIETHYLENE TRIAMINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-11-08 | — | — | EP | disclosed |
| WO-1994017033-A1 | PROCESS FOR PREPARING C-SUBSTITUTED DIETHYLENE TRIAMINES | SCHERING AKTIENGESELLSCHAFT (DE) | 1994-08-04 | — | — | WO | disclosed |