Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | ACHE | P22303 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.36 |
| ▸ | MPO | P05164 | 1/20 | 0.36 |
| ▸ | TACR3 | P29371 | 3/20 | 0.36 |
| ▸ | PRNP | P04156 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | DRD1 | P21728 | 1/20 | 0.35 |
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.35 |
| ▸ | NSD2 | O96028 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8005145 | 0.79 | PDE3B (0.38) | ALDH1A1SMN1; SMN2KDM4EHPGDNPC1 | |
| SCHEMBL8007996 | 0.78 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2KDM4EHPGDNPC1 | |
| SCHEMBL7995961 | 0.78 | SLC2A1 (0.43) | ALDH1A1SMN1; SMN2KDM4EHPGDNPC1 | |
| SCHEMBL8007932 | 0.77 | ALDH1A1 (0.40) | ALDH1A1SMN1; SMN2KDM4EACHENPC1 | |
| SCHEMBL7992813 | 0.77 | PDE10A (0.32) | ALDH1A1SMN1; SMN2HPGDNPC1RAB9A | |
| SCHEMBL577501 | 0.75 | ALDH1A1 (0.38) | ALDH1A1SMN1; SMN2KDM4EHPGDNPC1 | |
| SCHEMBL15216094 | 0.75 | SLC2A1 (0.37) | ALDH1A1SMN1; SMN2KDM4EHPGDNPC1 | |
| SCHEMBL7995957 | 0.75 | ALDH1A1 (0.36) | ALDH1A1SMN1; SMN2KDM4EHPGDNPC1 | |
| SCHEMBL15216084 | 0.73 | ACHE (0.40) | ALDH1A1SMN1; SMN2KDM4EACHENPC1 | |
| SCHEMBL12299894 | 0.70 | RAB9A (0.58) | ALDH1A1SMN1; SMN2KDM4EHPGDNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2250174-B1 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARMACEUTICALS INC (US) | 2013-08-28 | — | — | EP | disclosed |
| WO-2009099596-A2 | MACROCYCLIC SERINE PROTEASE INHIBITORS | IDENIX PHARAMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |