Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX2 | P34913 | 1/20 | 0.50 |
| ▸ | HTR2C | P28335 | 2/20 | 0.46 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.46 |
| ▸ | HTR3B | O95264 | 1/20 | 0.46 |
| ▸ | HTR1A | P08908 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 1/20 | 0.46 |
| ▸ | HTR3D | Q70Z44 | 1/20 | 0.46 |
| ▸ | HTR3C | Q8WXA8 | 1/20 | 0.46 |
| ▸ | PLD1 | Q13393 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | HTR6 | P50406 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9070490 | 0.87 | EPHX2 (0.51) | EPHX2HTR2CHTR3EHTR3BHTR1A | |
| SCHEMBL9687918 | 0.80 | HTR2C (0.36) | HTR2CPLD1 | |
| SCHEMBL10365739 | 0.79 | EPHX2 (0.44) | EPHX2HTR2CHTR3EHTR3BHTR1A | |
| SCHEMBL8660094 | 0.79 | EPHX2 (0.55) | EPHX2HTR2CHTR1APLD1KDM4E | |
| SCHEMBL9688903 | 0.78 | HTR2C (0.42) | EPHX2HTR2C | |
| SCHEMBL9688689 | 0.77 | CYP2D6 (0.48) | HTR2CKDM4E | |
| SCHEMBL9038184 | 0.76 | KMT2A (0.41) | HTR3EHTR3BHTR3AHTR3DHTR3C | |
| SCHEMBL8705117 | 0.75 | HTR6 (0.49) | EPHX2HTR2CHTR3EHTR3BHTR1A | |
| SCHEMBL10721579 | 0.75 | EPHX2 (0.48) | EPHX2HTR2CPLD1KDM4EALDH1A1 | |
| Hydrochloric Acid SCHEMBL5900848 | 0.74 | EPHX2 (0.50) | EPHX2HTR2CPLD1KDM4EALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594702-A1 | SUBSTITUTED INDOLES AS ANTI-AIDS PHARMACEUTICALS. | UPJOHN CO (US) | 1994-05-04 | — | — | EP | disclosed |
| EP-0507861-A1 | DIAROMATIC SUBSTITUTED ANTI-AIDS COMPOUNDS. | UPJOHN CO (US) | 1992-10-14 | — | — | EP | disclosed |