Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MGLL | Q99685 | 3/20 | 0.35 |
| ▸ | F13A1 | P00488 | 1/20 | 0.35 |
| ▸ | TGM2 | P21980 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | LGMN | Q99538 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL12141232 | 0.93 | THRB (0.36) | MGLLF13A1TGM2CYP1A2CYP2D6 | |
| SCHEMBL8244941 | 0.78 | MGLL (0.40) | MGLLALDH1A1GAA | |
| SCHEMBL12600876 | 0.78 | F13A1 (0.41) | MGLLF13A1TGM2CYP1A2CYP2D6 | |
| SCHEMBL16316280 | 0.78 | CTSL (0.34) | KMT2A | |
| SCHEMBL12142687 | 0.76 | F13A1 (0.41) | F13A1TGM2 | |
| SCHEMBL14569797 | 0.76 | F13A1 (0.41) | F13A1TGM2 | |
| SCHEMBL14583933 | 0.76 | F13A1 (0.41) | F13A1TGM2 | |
| SCHEMBL7850110 | 0.76 | F13A1 (0.41) | F13A1TGM2 | |
| SCHEMBL14073406 | 0.73 | AGTR2 (0.40) | MGLLF13A1TGM2CYP1A2CYP2D6 | |
| SCHEMBL8280794 | 0.73 | ALDH1A1 (0.35) | MGLLF13A1TGM2ALDH1A1SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730110-B9 | SULFUR COMPOUNDS AS INHIBITORS OF HEPATITIS C VIRUS NS3 SERINE PROTEASE | SCHERING CORP (US) | 2011-11-02 | — | — | EP | disclosed |