Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.53 |
| ▸ | HTR1A | P08908 | 1/20 | 0.53 |
| ▸ | DRD2 | P14416 | 5/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | DRD4 | P21917 | 2/20 | 0.52 |
| ▸ | DRD3 | P35462 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HTR2A | P28223 | 1/20 | 0.50 |
| ▸ | HTR7 | P34969 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL2988937 | 0.81 | DRD2 (0.58) | KDM4ETDP1HTR1ADRD2DRD4 | |
| SCHEMBL8560803 | 0.80 | DRD2 (0.59) | KDM4ETDP1HTR1ADRD2ALDH1A1 | |
| Hydrochloric Acid SCHEMBL2976824 | 0.79 | DRD2 (0.58) | KDM4ETDP1HTR1ADRD2ALDH1A1 | |
| SCHEMBL6031843 | 0.78 | DRD2 (0.64) | KDM4ETDP1HTR1ADRD2ALDH1A1 | |
| SCHEMBL6461768 | 0.77 | HTR1A (0.41) | KDM4ETDP1HTR1ADRD2ALDH1A1 | |
| SCHEMBL14361245 | 0.77 | CHRM1 (0.44) | KDM4ETDP1ALDH1A1MEN1HTT | |
| SCHEMBL8569200 | 0.77 | DRD2 (0.69) | KDM4EHTR1ADRD2ALDH1A1DRD3 | |
| SCHEMBL5800584 | 0.76 | HTR1A (0.62) | HTR1ADRD2MEN1KMT2AHTR7 | |
| Hydrochloric Acid SCHEMBL8570034 | 0.76 | DRD2 (0.67) | KDM4EHTR1ADRD2ALDH1A1DRD3 | |
| SCHEMBL4171468 | 0.76 | ALDH1A1 (0.65) | KDM4ETDP1HTR1ADRD2ALDH1A1 |
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-0359311-B1 | Butynylamine derivatives | NIPPON SHINYAKU CO LTD (JP) | 1997-01-15 | — | — | EP | disclosed |
| US-5036098-A | Urogenital disorders | NIPPON SHINYAKU CO., LTD. (JP) | 1991-07-30 | — | — | US | disclosed |
| EP-0359311-A2 | Butynylamine derivatives | NIPPON SHINYAKU COMPANY, LIMITED (JP) | 1990-03-21 | — | — | EP | disclosed |