Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.41 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.40 |
| ▸ | HTR3B | O95264 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | HTR3A | P46098 | 1/20 | 0.40 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.40 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL22597906 | 0.83 | EPHX2 (0.49) | EPHX2MAPK1CHEK1ALDH1A1TSHR | |
| SCHEMBL8918450 | 0.82 | EPHX2 (0.56) | EPHX2MAPK1CHEK1GAAHTR2C | |
| SCHEMBL9376237 | 0.78 | EPHX2 (0.48) | EPHX2MAPK1CHEK1HTR2CHTR3E | |
| SCHEMBL8919131 | 0.77 | EPHX2 (0.52) | EPHX2ALDH1A1HTR2CHTR3EHTR3B | |
| SCHEMBL8923780 | 0.76 | HDAC1 (0.52) | MAPK1 | |
| Propionic Acid SCHEMBL9640910 | 0.75 | PARP1 (0.53) | EPHX2ALDH1A1HTR2CHTR3EHTR3B | |
| SCHEMBL9036740 | 0.75 | EPHX2 (0.55) | EPHX2ALDH1A1HTR2CHTR3EHTR3B | |
| SCHEMBL8916125 | 0.75 | EPHX2 (0.59) | EPHX2ALDH1A1HTR2CHTR3EHTR3B | |
| SCHEMBL3334093 | 0.74 | EPHX2 (0.51) | EPHX2HTR2CHTR3EHTR3BHTR1A | |
| Hydrochloric Acid SCHEMBL8703350 | 0.73 | EPHX2 (0.50) | EPHX2ALDH1A1HTR2CHTR3EHTR3B |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5686610-A | Pyridyl piperazine compound | PHARMACIA & UPJOHN COMPANY (US) | 1997-11-11 | — | — | US | disclosed |
| US-5599930-A | Substituted indoles as anti-AIDS pharmaceuticals | THE UPJOHN COMPANY (US) | 1997-02-04 | — | — | US | disclosed |
| US-5563142-A | INHIBITORS OF VIRAL REVERSE TRANSCRIPTASE | THE UPJOHN COMPANY (US) | 1996-10-08 | — | — | US | disclosed |
| EP-0507861-B1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | UPJOHN CO (US) | 1996-09-11 | — | — | EP | disclosed |
| US-5489593-A | Anti-aids piperazines | THE UPJOHN COMPANY (US) | 1996-02-06 | — | — | US | disclosed |
| EP-0594702-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. | UPJOHN CO (US) | 1994-05-04 | — | — | EP | disclosed |
| WO-1993001181-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS | THE UPJOHN COMPANY (US) | 1993-01-21 | — | — | WO | disclosed |
| EP-0507861-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. | UPJOHN CO (US) | 1992-10-14 | — | — | EP | disclosed |
| WO-1991009849-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS | THE UPJOHN COMPANY (US) | 1991-07-11 | — | — | WO | disclosed |