Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.35 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.35 |
| ▸ | SLC6A1 | P30531 | 2/20 | 0.35 |
| ▸ | SLC6A12 | P48065 | 2/20 | 0.35 |
| ▸ | SLC6A11 | P48066 | 2/20 | 0.35 |
| ▸ | SLC6A13 | Q9NSD5 | 2/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.35 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.35 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.35 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.35 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.35 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.35 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15073379 | 1.00 | BRD4 (0.39) | BRD4EPHX1GABRA5GABRB2SLC6A1 | |
| SCHEMBL473986 | 0.89 | EPHX1 (0.45) | BRD4EPHX1GABRA5GABRB2SLC6A1 | |
| Hydrochloric Acid SCHEMBL662153 | 0.87 | EPHX1 (0.44) | BRD4EPHX1GABRA5GABRB2SLC6A1 | |
| SCHEMBL14235202 | 0.83 | BRD4 (0.37) | BRD4EPHX1GABRA5GABRB2SLC6A1 | |
| SCHEMBL14235209 | 0.83 | BRD4 (0.37) | BRD4EPHX1GABRA5GABRB2SLC6A1 | |
| SCHEMBL14235376 | 0.83 | BRD4 (0.37) | BRD4EPHX1GABRA5GABRB2SLC6A1 | |
| SCHEMBL24197361 | 0.82 | BRD4 (0.50) | BRD4EPHX1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL26647720 | 0.82 | BRD4 (0.50) | BRD4EPHX1ALDH1A1SMN1; SMN2TSHR | |
| SCHEMBL2036054 | 0.82 | — | — | |
| SCHEMBL29080625 | 0.81 | BRD4 (0.41) | BRD4ALDH1A1TSHRGAA |
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-2013096093-A1 | COMPOUNDS AS DGAT-1 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-06-27 | — | — | WO | disclosed |