Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 3/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.45 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL6975250 | 0.86 | TSHR (0.53) | GAAMEN1TSHRKMT2A | |
| SCHEMBL3314498 | 0.77 | GAA (0.77) | ALDH1A1KDM4EHPGDGAACYP3A4 | |
| SCHEMBL2444402 | 0.77 | GAA (0.77) | ALDH1A1KDM4EHPGDGAACYP3A4 | |
| SCHEMBL4723427 | 0.75 | SPHK1 (0.66) | MEN1KMT2AMAOBSPHK1 | |
| SCHEMBL8320762 | 0.75 | SPHK1 (0.53) | ALDH1A1KDM4EHPGDGAACYP3A4 | |
| SCHEMBL408684 | 0.74 | SPHK1 (0.71) | CYP1A2CYP2C19MAOBSPHK1 | |
| SCHEMBL4423264 | 0.74 | ALDH1A1 (0.60) | ALDH1A1KDM4EHPGDCYP3A4CYP2D6 | |
| SCHEMBL408685 | 0.74 | SPHK1 (0.71) | CYP1A2CYP2C19MAOBSPHK1 | |
| SCHEMBL5154674 | 0.74 | SPHK1 (0.71) | CYP1A2CYP2C19MAOBSPHK1 | |
| SCHEMBL27556877 | 0.74 | ALDH1A1 (0.61) | ALDH1A1KDM4EHPGDGAACYP3A4 |
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-1100797-B1 | HETEROCYCLIC COMPOUNDS AS INHIBITORS OF ROTAMASE ENZYMES | PFIZER LTD (GB) | 2003-02-26 | — | — | EP | disclosed |