Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | KIF11 | P52732 | 3/20 | 0.37 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.36 |
| ▸ | NOS1 | P29475 | 2/20 | 0.36 |
| ▸ | NOS2 | P35228 | 2/20 | 0.36 |
| ▸ | BLM | P54132 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL28824060 | 0.79 | MAPT (0.40) | NPSR1MEN1KMT2AMAPTLMNA | |
| SCHEMBL28824092 | 0.76 | GAA (0.37) | NPSR1MEN1KMT2AMAPTLMNA | |
| SCHEMBL911477 | 0.74 | GAA (0.36) | NPSR1MEN1KMT2AMAPTLMNA | |
| SCHEMBL23969688 | 0.73 | EPHX1 (0.40) | MEN1KMT2ALMNAHTTSMN1; SMN2 | |
| SCHEMBL13992853 | 0.73 | CA12 (0.44) | NPSR1MAPTSMN1; SMN2IDO1ALDH1A1 | |
| Alcohol SCHEMBL27290979 | 0.71 | GLA (0.36) | NPSR1MEN1KMT2AALDH1A1TP53 | |
| SCHEMBL8654887 | 0.71 | EPHX2 (0.46) | KIF11EPHX2ALDH1A1CES2CES1 | |
| SCHEMBL29716536 | 0.70 | IDO1 (0.44) | KMT2AIDO1ALDH1A1MAOB | |
| SCHEMBL8416641 | 0.70 | TAAR1 (0.39) | NPSR1MEN1KMT2AKIF11LMNA | |
| SCHEMBL8237725 | 0.66 | NQO1 (0.64) | MAPTLMNAALDH1A1TP53MAPK1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101977915-B | Macrocyclic serine protease inhibitors | IDENIX PHARMACEUTICALS INC (US) | 2014-08-13 | — | — | CN | disclosed |
| CN-101977915-A | Macrocyclic serine protease inhibitors | IDENIX PHARMACEUTICALS INC (US) | 2011-02-16 | — | — | CN | disclosed |