Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.67 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.67 |
| ▸ | MPO | P05164 | 6/20 | 0.59 |
| ▸ | HTR1A | P08908 | 8/20 | 0.56 |
| ▸ | HTR1D | P28221 | 8/20 | 0.56 |
| ▸ | HTR2A | P28223 | 7/20 | 0.56 |
| ▸ | HTR1B | P28222 | 6/20 | 0.56 |
| ▸ | TRPM8 | Q7Z2W7 | 4/20 | 0.56 |
| ▸ | HTR2C | P28335 | 3/20 | 0.56 |
| ▸ | HTR2B | P41595 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | HTR7 | P34969 | 2/20 | 0.56 |
| ▸ | HTR6 | P50406 | 2/20 | 0.56 |
| ▸ | HTR4 | Q13639 | 2/20 | 0.56 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.56 |
| ▸ | HTR3B | O95264 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL8544422 | 0.92 | HPGD (0.58) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL14160299 | 0.90 | HTR1A (0.65) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL8978738 | 0.90 | HPGD (0.64) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL2847185 | 0.89 | HTR1D (0.70) | HPGDCYP2C19MPOHTR1AHTR1D | |
| Hydrochloric Acid SCHEMBL27517910 | 0.89 | HTR1A (0.68) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL3379714 | 0.86 | SLC6A4 (0.70) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL8235788 | 0.86 | CYP2C19 (0.63) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL3878356 | 0.86 | HTR2C (0.68) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL27792207 | 0.85 | HPGD (0.58) | HPGDCYP2C19MPOHTR1AHTR1D | |
| SCHEMBL9664523 | 0.83 | MPO (0.66) | HPGDCYP2C19MPOHTR1AHTR1D |
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-1337511-A1 | BIS-HETEROCYCLIC COMPOUNDS WITH ANTITUMOUR AND CHEMOSENSITISING ACTIVITY | Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) | 2003-08-27 | — | — | EP | disclosed |
| WO-2002036561-A1 | BIS-HETEROCYCLIC COMPOUNDS WITH ANTITUMOUR AND CHEMOSENSITISING ACTIVITY | SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) | 2002-05-10 | — | — | WO | disclosed |