Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 3/20 | 0.60 |
| ▸ | CES1 | P23141 | 2/20 | 0.59 |
| ▸ | CA1 | P00915 | 2/20 | 0.57 |
| ▸ | CA2 | P00918 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | GSK3B | P49841 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | GAA | P10253 | 1/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL12532569 | 0.86 | MAPK1 (0.62) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL4656668 | 0.82 | CES1 (0.65) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL28999479 | 0.81 | MAPK1 (0.56) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL9680539 | 0.81 | TDP1 (0.58) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL11298330 | 0.81 | CA2 (0.46) | CES1CA2ALDH1A1TSHRCES2 | |
| SCHEMBL20912919 | 0.81 | TDP1 (0.62) | MAPK1CES1CA1CA2TDP1 | |
| Ammonia Solution, Strong SCHEMBL17187555 | 0.80 | MAPK1 (0.55) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL14198639 | 0.80 | MAPK1 (0.55) | MAPK1CES1CA1CA2TDP1 | |
| SCHEMBL6271064 | 0.80 | MAPK1 (0.55) | MAPK1CES1CA1CA2TDP1 | |
| 4-Nitrobenzoic Acid SCHEMBL29036908 | 0.79 | TDP1 (0.78) | MAPK1CES1CA1CA2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009158393-A1 | 1, 2 DISUBSTITUTED HETEROCYCLIC COMPOUNDS | ENVIVO PHARMACEUTICALS, INC. (US) | 2009-12-30 | — | — | WO | disclosed |