Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.35 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | METAP2 | P50579 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8008960 | 0.81 | PKM (0.36) | PKMHSD17B1KDM4EALDH1A1HPGD | |
| SCHEMBL8280627 | 0.81 | MAPT (0.46) | PKMPDCD1CD274HSD17B1SMN1; SMN2 | |
| SCHEMBL9890969 | 0.78 | POLB (0.38) | TP53HSD17B10SMN1; SMN2MAPTCYP2C9 | |
| SCHEMBL1954506 | 0.76 | MAPT (0.43) | PKMHSD17B10SMN1; SMN2MAPTCYP2C9 | |
| SCHEMBL27668976 | 0.76 | GABRP (0.46) | HSD17B10MAPTTDP1KDM4EALDH1A1 | |
| SCHEMBL2211047 | 0.75 | POLB (0.50) | PDCD1CD274PDE10AHSD17B10SMN1; SMN2 | |
| SCHEMBL24507277 | 0.74 | CES2 (0.38) | SMN1; SMN2BRD4TSHR | |
| SCHEMBL30560060 | 0.74 | CES2 (0.38) | SMN1; SMN2BRD4TSHR | |
| SCHEMBL28700454 | 0.74 | CYP3A4 (0.41) | PKMHSD17B1TP53HSD17B10SMN1; SMN2 | |
| SCHEMBL10751483 | 0.73 | HSD17B1 (0.42) | HSD17B1ALDH1A1HPGDTSHRGABRP |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |