Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.40 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.40 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9718961 | 0.79 | ALDH1A1 (0.52) | ALDH1A1CYP1A2POLBKMT2AMAPK1 | |
| SCHEMBL10922628 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL10591841 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP1A2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL497402 | 0.78 | ALDH1A1 (0.46) | ALDH1A1CYP1A2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL27564805 | 0.76 | ALDH1A1 (0.48) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL10659412 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A2POLBKMT2AMAPK1 | |
| SCHEMBL3432600 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL3432599 | 0.76 | ALDH1A1 (0.44) | ALDH1A1CYP1A2KMT2AMAPK1L3MBTL1 | |
| SCHEMBL10583986 | 0.75 | ALDH1A1 (0.52) | ALDH1A1CYP1A2POLBKMT2AMAPK1 | |
| SCHEMBL7930837 | 0.75 | ALDH1A1 (0.47) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 |
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-2257524-A1 | N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS | Amira Pharmaceuticals, Inc. (US) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009099902-A1 | N,N-DISUBSTITUTED AMINOALKYLBIPHENYL ANTAGONISTS OF PROSTAGLANDIN D2 RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2009-08-13 | — | — | WO | disclosed |