Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.46 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.44 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL31126930 | 0.85 | TSHR (0.46) | ALDH1A1ABCC1CHRNB2CHRNB4CHRNA3 | |
| SCHEMBL25272366 | 0.84 | TDP1 (0.49) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL13687204 | 0.83 | CHRNB2 (0.61) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL27186217 | 0.83 | HPGD (0.48) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL22657965 | 0.79 | HTR2C (0.45) | ALDH1A1ABCC1KMT2AL3MBTL1MEN1 | |
| SCHEMBL206007 | 0.78 | CHRNB2 (0.53) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7367495 | 0.78 | ALDH1A1 (0.58) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL13331012 | 0.78 | PTGDR2 (0.46) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL10107202 | 0.77 | ALDH1A1 (0.56) | ALDH1A1CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7958550 | 0.77 | ALDH1A1 (0.55) | ALDH1A1ABCC1TDP1HPGDMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-2247600-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | Lead Therapeutics, Inc. (US) | 2010-11-10 | — | — | EP | disclosed |
| WO-2009099736-A2 | BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) | LEAD THERAPEUTICS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |