Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.42 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 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 | |
|---|---|---|---|---|
| SCHEMBL4775938 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL182145 | 0.78 | ALDH1A1 (0.52) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL22498336 | 0.77 | CHRM2 (0.49) | ALDH1A1CA1CA2CA7CA9 | |
| SCHEMBL615428 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL11324732 | 0.76 | CYP2A6 (0.42) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL23540648 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL1155920 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL29207873 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL2591240 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CA1CA2CA12 | |
| SCHEMBL6194589 | 0.75 | ALDH1A1 (0.48) | ALDH1A1CYP2A6CA1CA2CA12 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2026799-A2 | IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH | Galapagos SAS (FR) | 2009-02-25 | — | — | EP | disclosed |
| WO-2008134036-A1 | ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |
| WO-2008134035-A1 | ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |
| WO-2007137874-A2 | IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH | GALAPAGOS SAS (FR) | 2007-12-06 | — | — | WO | disclosed |