Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DAGLA | Q9Y4D2 | 2/20 | 0.57 |
| ▸ | CES1 | P23141 | 2/20 | 0.51 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.45 |
| ▸ | SMO | Q99835 | 2/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.42 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.41 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5296166 | 0.89 | DAGLA (0.57) | DAGLACES1HSD11B1SMOALDH1A1 | |
| SCHEMBL8119163 | 0.85 | SCN9A (0.55) | DAGLACES1HSD11B1ALDH1A1SCN9A | |
| SCHEMBL27768589 | 0.83 | CES1 (0.53) | DAGLACES1ALDH1A1MEN1KMT2A | |
| SCHEMBL27768689 | 0.82 | CYP2A6 (0.45) | DAGLACES1ALDH1A1 | |
| SCHEMBL14564373 | 0.75 | SCN9A (0.62) | DAGLACES1ALDH1A1SCN9AHDAC1 | |
| SCHEMBL9882827 | 0.74 | HSD17B1 (0.46) | DAGLACES1HSD11B1SMOALDH1A1 | |
| SCHEMBL13335153 | 0.73 | AKR1B1 (0.59) | DAGLACES1HSD11B1SMOAKR1B1 | |
| SCHEMBL5945888 | 0.72 | HSD17B1 (0.45) | DAGLACES1HSD11B1SMOALDH1A1 | |
| SCHEMBL3718120 | 0.72 | ENPP3 (0.54) | DAGLAALDH1A1SCN9AENPP3RAB9A | |
| SCHEMBL278182 | 0.71 | ENPP3 (0.69) | HSD11B1SMOALDH1A1ENPP3ENPP1 |
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-102850324-A | Indole compounds | MICROBIA INC | 2013-01-02 | — | — | CN | disclosed |
| CN-101563337-A | Indole compounds | MICROBIA INC (US) | 2009-10-21 | — | — | CN | disclosed |