Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PKM | P14618 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | APAF1 | O14727 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 3/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | TNF | P01375 | 1/20 | 0.42 |
| ▸ | F2R | P25116 | 1/20 | 0.41 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL13071432 | 0.83 | CYP2C9 (0.44) | MEN1KMT2ACYP1A2CYP2D6HTT | |
| SCHEMBL13111951 | 0.81 | TNF (0.60) | PKMHTTAPAF1LMNAALDH1A1 | |
| SCHEMBL12397237 | 0.80 | HTT (0.62) | MEN1KMT2AGAAPKMCYP1A2 | |
| SCHEMBL990194 | 0.79 | HTT (0.67) | KMT2ACYP1A2CYP2D6HTTPOLB | |
| SCHEMBL1537674 | 0.79 | SMN1; SMN2 (0.55) | MEN1KMT2AGAAPKMCYP1A2 | |
| SCHEMBL15978916 | 0.78 | MEN1 (0.68) | MEN1KMT2AGAAPKMCYP1A2 | |
| SCHEMBL2464947 | 0.77 | HPGD (0.64) | MEN1KMT2AGAACYP1A2HTT | |
| SCHEMBL13071434 | 0.76 | LMNA (0.56) | MEN1KMT2AGAAHTTAPAF1 | |
| SCHEMBL16741955 | 0.76 | L3MBTL1 (0.46) | MEN1KMT2AGAAPKMHTT | |
| SCHEMBL152719 | 0.74 | TNF (0.65) | MEN1KMT2ACYP1A2CYP2D6HTT |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009142842-A9 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |