Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.36 |
| ▸ | FPR2 | P25090 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.35 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.35 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.35 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.35 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.35 |
| ▸ | C1S | P09871 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 3/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | RAB9A | P51151 | 3/20 | 0.32 |
| ▸ | MEN1 | O00255 | 3/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL15216098 | 0.96 | C1S (0.37) | ALDH1A1KDM4EFPR2GABRA1GABRG2 | |
| SCHEMBL3672299 | 0.89 | FPR2 (0.36) | ALDH1A1KDM4EFPR2GABRA1GABRG2 | |
| SCHEMBL3675051 | 0.87 | FPR2 (0.37) | ALDH1A1KDM4EFPR2GABRA1GABRG2 | |
| SCHEMBL8005668 | 0.85 | C1S (0.36) | ALDH1A1KDM4EFPR2GABRA1GABRG2 | |
| SCHEMBL8005137 | 0.84 | KDM4E (0.39) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL8006162 | 0.81 | ALDH1A1 (0.37) | ALDH1A1KDM4EC1STDP1NPC1 | |
| SCHEMBL8003756 | 0.80 | KDM4E (0.36) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL8005422 | 0.80 | ALDH1A1 (0.36) | ALDH1A1KDM4ETDP1NPC1MAPT | |
| SCHEMBL8006048 | 0.80 | KDM4E (0.36) | ALDH1A1KDM4ENPC1MAPTRAB9A | |
| SCHEMBL8003492 | 0.80 | KDM4E (0.36) | ALDH1A1KDM4ETDP1NPC1MAPT |
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 |