Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | GFER | P55789 | 1/20 | 0.60 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.57 |
| ▸ | GAA | P10253 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | BLM | P54132 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 1/20 | 0.50 |
| ▸ | APOBEC3G | Q9HC16 | 1/20 | 0.50 |
| ▸ | CTSS | P25774 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6803415 | 0.91 | BLM (0.56) | POLBGFERCYP2D6GAABLM | |
| SCHEMBL7268474 | 0.88 | POLB (0.76) | POLBGFERCYP2D6GAACYP3A4 | |
| SCHEMBL7268468 | 0.88 | POLB (0.76) | POLBGFERCYP2D6GAACYP3A4 | |
| SCHEMBL7278749 | 0.87 | CYP3A4 (0.61) | POLBGFERCYP2D6GAACYP3A4 | |
| SCHEMBL7300089 | 0.82 | GAA (0.55) | POLBGFERCYP2D6GAACYP3A4 | |
| SCHEMBL31461560 | 0.79 | PSMB8 (0.51) | GAAALDH1A1 | |
| SCHEMBL31461556 | 0.78 | PSMB8 (0.53) | CYP2D6KDM4EALDH1A1 | |
| Norvaline SCHEMBL9515720 | 0.78 | POLB (0.61) | POLBGFERCYP2D6GAACYP3A4 | |
| SCHEMBL7280973 | 0.77 | POLB (0.56) | POLBGFERCYP2D6GAACYP3A4 | |
| SCHEMBL7266820 | 0.77 | POLB (0.61) | POLBGFERCYP2D6GAACYP3A4 |
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-0416393-A1 | Peptidyl difluorodiol renin inhibitors | ABBOTT LABORATORIES (US) | 1991-03-13 | — | — | EP | disclosed |
| WO-1989010751-A1 | FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS | ABBOTT LABORATORIES (US) | 1989-11-16 | — | — | WO | disclosed |
| EP-0341602-A2 | Renin-inhibiting functionalized peptidyl aminodiols and - triols | ABBOTT LABORATORIES (US) | 1989-11-15 | — | — | EP | disclosed |