Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HTT | P42858 | 2/20 | 0.38 |
| ▸ | MGLL | Q99685 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.37 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | PDE1A | P54750 | 1/20 | 0.36 |
| ▸ | PDE1B | Q01064 | 1/20 | 0.36 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.36 |
| ▸ | PDE1C | Q14123 | 1/20 | 0.36 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL10117508 | 0.94 | NPC1 (0.41) | RAB9ANPC1SMN1; SMN2NR1H2IDO1 | |
| SCHEMBL10117536 | 0.90 | MTOR (0.38) | NR1H2IDO1GAA | |
| SCHEMBL10117540 | 0.85 | NR1H2 (0.49) | RAB9ANPC1NR1H2KDM4EHDAC8 | |
| SCHEMBL10117510 | 0.84 | MEN1 (0.45) | RAB9ANPC1SMN1; SMN2NR1H2ALDH1A1 | |
| SCHEMBL10117499 | 0.82 | FPR2 (0.39) | RAB9ANPC1SMN1; SMN2HTTNR1H2 | |
| SCHEMBL10117881 | 0.78 | MAPK1 (0.43) | SMN1; SMN2ALDH1A1 | |
| SCHEMBL4242529 | 0.75 | GABRG2 (0.38) | RAB9ANPC1SMN1; SMN2NR1H2ALDH1A1 | |
| SCHEMBL10117534 | 0.73 | NR1H2 (0.40) | NR1H2IDO1 | |
| SCHEMBL4298498 | 0.72 | FFAR1 (0.39) | NR1H2HDAC3HDAC1HDAC2HDAC8 | |
| SCHEMBL4231082 | 0.72 | NR1H2 (0.41) | RAB9ANPC1SMN1; SMN2NR1H2ALDH1A1 |
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-2012087976-A2 | NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-06-28 | — | — | WO | disclosed |