Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CTSC | P53634 | 5/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | LTB4R | Q15722 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | MMP1 | P03956 | 2/20 | 0.35 |
| ▸ | MMP8 | P22894 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CTSD | P07339 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CTSK | P43235 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL29031334 | 0.87 | CYP2C19 (0.46) | CYP2D6CYP2C19MMP1MMP8ALDH1A1 | |
| SCHEMBL18664188 | 0.82 | HTT (0.44) | CTSCKCNH2LTB4RLTB4R2ALDH1A1 | |
| SCHEMBL20172647 | 0.76 | CTSC (0.43) | CTSCKCNH2LTB4RLTB4R2CTSK | |
| SCHEMBL1515589 | 0.74 | CTSC (0.37) | CTSCKCNH2LTB4RLTB4R2ALDH1A1 | |
| SCHEMBL18664190 | 0.71 | HTT (0.38) | CTSCKCNH2LTB4RLTB4R2ALDH1A1 | |
| SCHEMBL24503023 | 0.70 | CTSC (0.50) | CTSCKCNH2LTB4RLTB4R2ALDH1A1 | |
| SCHEMBL23385891 | 0.70 | ALDH1A1 (0.33) | CTSCKCNH2LTB4RLTB4R2ALDH1A1 | |
| SCHEMBL18377458 | 0.69 | ALDH1A1 (0.35) | CTSCMMP1ALDH1A1 | |
| SCHEMBL12955348 | 0.69 | — | — | |
| SCHEMBL17340072 | 0.68 | HSP90B1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2007110727-A2 | AMIDE STABILIZED HYDROXYETHYLAMINES | PFIZER PRODUCTS INC. (US) | 2007-10-04 | — | — | WO | disclosed |
| WO-2007110727-A2 | AMIDE STABILIZED HYDROXYETHYLAMINES | PFIZER PRODUCTS INC. (US) | 2007-10-04 | — | — | WO | disclosed |