Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.35 |
| ▸ | CES1 | P23141 | 1/20 | 0.35 |
| ▸ | PARP1 | P09874 | 7/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.31 |
| ▸ | NPC1 | O15118 | 2/20 | 0.30 |
| ▸ | TP53 | P04637 | 2/20 | 0.30 |
| ▸ | RAB9A | P51151 | 2/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.30 |
| ▸ | HTR1A | P08908 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19691159 | 0.78 | PARP1 (0.33) | CES2CES1PARP1HTR1A | |
| SCHEMBL12434479 | 0.76 | AHR (0.41) | TSHRPOLBTRPA1KDM4E | |
| SCHEMBL5800279 | 0.72 | CES2 (0.39) | CES2CES1PARP1DGAT1NPC1 | |
| SCHEMBL7146004 | 0.72 | CES2 (0.46) | CES2CES1PARP1DGAT1 | |
| SCHEMBL29782972 | 0.72 | CES2 (0.46) | CES2CES1PARP1DGAT1 | |
| SCHEMBL21224530 | 0.71 | TSHR (0.42) | PARP1TSHRNPC1TP53RAB9A | |
| SCHEMBL29520511 | 0.71 | TSHR (0.42) | PARP1TSHRNPC1TP53RAB9A | |
| SCHEMBL23631778 | 0.70 | CES2 (0.41) | CES2CES1PARP1DGAT1TSHR | |
| SCHEMBL29442184 | 0.70 | CES2 (0.41) | CES2CES1PARP1DGAT1TSHR | |
| SCHEMBL3219749 | 0.70 | CES2 (0.41) | CES2CES1PARP1DGAT1POLB |
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-1996180-B1 | BENZAMIDE AND PYRIDYLAMIDE DERIVATIVES AS ANTIBACTERIAL AGENTS | BIOTA EUROPE LTD (GB) | 2011-08-03 | — | — | EP | disclosed |