Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2C | P18825 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 3/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 3/20 | 0.39 |
| ▸ | POLB | P06746 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | AVPR1A | P37288 | 2/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4912725 | 1.00 | ADRA2C (0.42) | ADRA2CKDM4EHSD17B10ALDH1A1GAA | |
| SCHEMBL4904747 | 0.88 | BRD4 (0.39) | KDM4EALDH1A1MAPK1MAPTBRD4 | |
| SCHEMBL4912161 | 0.85 | ALDH1A1 (0.46) | ALDH1A1GAAMAPK1MAPTHTT | |
| SCHEMBL4915013 | 0.79 | MAP3K11 (0.41) | CREBBPOXTR | |
| SCHEMBL4902302 | 0.78 | TSHR (0.41) | ALDH1A1MAPK1MAPTHTTBRD4 | |
| SCHEMBL4909211 | 0.77 | BRD4 (0.35) | ALDH1A1MAPK1MAPTBRD4LMNA | |
| SCHEMBL4902490 | 0.76 | AVPR2 (0.50) | KDM4EALDH1A1HTTLMNAMEN1 | |
| SCHEMBL4912334 | 0.76 | GPBAR1 (0.42) | ALDH1A1MAPK1MAPTHTTBRD4 | |
| SCHEMBL4907240 | 0.76 | GPBAR1 (0.42) | ALDH1A1MAPK1MAPTHTTBRD4 | |
| SCHEMBL4906946 | 0.74 | GPBAR1 (0.41) | ALDH1A1MAPK1MAPTHTTBRD4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1820799-A1 | 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION | Wakamoto Pharmaceutical Co., Ltd. (JP) | 2007-08-22 | — | — | EP | disclosed |