Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | PKM | P14618 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.48 |
| ▸ | RXRA | P19793 | 2/20 | 0.46 |
| ▸ | RXRB | P28702 | 2/20 | 0.46 |
| ▸ | RXRG | P48443 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 3/20 | 0.40 |
| ▸ | PPARA | Q07869 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 2/20 | 0.39 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.39 |
| ▸ | BRD2 | P25440 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15447706 | 0.89 | CYP1A2 (0.69) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL17299142 | 0.89 | CYP1A2 (0.69) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL15447676 | 0.89 | CYP1A2 (0.69) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL18562037 | 0.86 | CYP1A2 (0.50) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL15447678 | 0.86 | CYP1A2 (0.50) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL15447704 | 0.84 | MAPT (0.52) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL19479573 | 0.84 | MAPT (0.52) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL8363887 | 0.81 | CYP1A2 (0.77) | GAACYP1A2CYP2C9PKMCYP2C19 | |
| SCHEMBL18563422 | 0.79 | MAPT (0.49) | PTPN5RXRARXRBRXRGMAPT | |
| SCHEMBL17299140 | 0.76 | MAPT (0.52) | CYP1A2CYP2C9CYP2C19PTPN5RXRA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2861604-B1 | MACROCYCLIC INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES INC (US) | 2017-03-01 | — | — | EP | disclosed |