Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX4 | Q99571 | 1/20 | 0.49 |
| ▸ | AVPR1A | P37288 | 3/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | PRMT5 | O14744 | 1/20 | 0.38 |
| ▸ | WDR77 | Q9BQA1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL3094477 | 0.86 | AVPR1A (0.55) | AVPR1ATHRBHSD11B1ALDH1A1MAPK1 | |
| SCHEMBL30379140 | 0.81 | BCHE (0.49) | AVPR1ATHRBHSD11B1ALDH1A1TSHR | |
| SCHEMBL9226464 | 0.81 | BCHE (0.49) | AVPR1ATHRBHSD11B1ALDH1A1TSHR | |
| SCHEMBL30910105 | 0.80 | AVPR1A (0.51) | AVPR1ATHRBHSD11B1ALDH1A1GAA | |
| SCHEMBL26093057 | 0.80 | AVPR1A (0.51) | AVPR1ATHRBHSD11B1ALDH1A1GAA | |
| SCHEMBL28092454 | 0.79 | HSD11B1 (0.46) | AVPR1ATHRBHSD11B1ALDH1A1MAPK1 | |
| SCHEMBL28092694 | 0.79 | AVPR1A (0.45) | AVPR1ATHRBHSD11B1ALDH1A1MAPK1 | |
| SCHEMBL28092572 | 0.77 | AVPR1A (0.44) | AVPR1ATHRBHSD11B1ALDH1A1MAPK1 | |
| SCHEMBL2778816 | 0.77 | NPC1 (0.64) | P2RX4ALDH1A1TSHRNPC1RAB9A | |
| SCHEMBL29505992 | 0.77 | MAPK1 (0.60) | AVPR1ATHRBHSD11B1ALDH1A1MAPK1 |
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-106029076-A | Benzopiperazine compositions as BET bromodomain inhibitors | 福马疗法公司 | 2016-10-12 | — | — | CN | claimed |
| CN-106029076-A | Benzopiperazine compositions as BET bromodomain inhibitors | 福马疗法公司 | 2016-10-12 | — | — | CN | disclosed |