Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.34 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL13684365 | 0.90 | ALDH1A1 (0.34) | GAAALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL13684329 | 0.79 | CYP19A1 (0.33) | GAAALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL17736731 | 0.79 | CYP19A1 (0.33) | GAAALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL12534614 | 0.75 | MEN1 (0.35) | GAAALDH1A1MAPTNPC1RAB9A | |
| SCHEMBL21880291 | 0.74 | PARP1 (0.31) | — | |
| SCHEMBL12534609 | 0.73 | MEN1 (0.37) | GAAALDH1A1MAPTSMN1; SMN2CYP19A1 | |
| SCHEMBL10183304 | 0.72 | L3MBTL1 (0.35) | GAACYP19A1MEN1KMT2ATDP1 | |
| SCHEMBL12308316 | 0.72 | ALDH1A1 (0.59) | GAAALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL13532532 | 0.72 | ALDH1A1 (0.59) | GAAALDH1A1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL20022928 | 0.72 | MEN1 (0.36) | ALDH1A1SMN1; SMN2CYP19A1MEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| US-7592419-B2 | Macrocyclic inhibitors of hepatitis C virus NS3-serine protease | SCHERING CORPORATION (US) | 2009-09-22 | — | — | US | disclosed |