Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 10/20 | 0.70 |
| ▸ | CYP3A4 | P08684 | 9/20 | 0.70 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.70 |
| ▸ | MAPT | P10636 | 8/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.70 |
| ▸ | MEN1 | O00255 | 5/20 | 0.70 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.70 |
| ▸ | CYP2C19 | P33261 | 5/20 | 0.70 |
| ▸ | RAB9A | P51151 | 5/20 | 0.70 |
| ▸ | TP53 | P04637 | 4/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.70 |
| ▸ | NPC1 | O15118 | 4/20 | 0.70 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.70 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 2/20 | 0.70 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.70 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.70 |
| ▸ | GMNN | O75496 | 1/20 | 0.70 |
| ▸ | RAF1 | P04049 | 1/20 | 0.70 |
| ▸ | PKM | P14618 | 1/20 | 0.70 |
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 | |
|---|---|---|---|---|
| SCHEMBL253522 | 0.85 | HPGD (0.78) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4649187 | 0.83 | HPGD (0.74) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL11289655 | 0.82 | HPGD (0.73) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL157826 | 0.82 | HPGD (1.00) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL29504929 | 0.82 | HPGD (1.00) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL8405242 | 0.81 | HPGD (0.68) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| Water SCHEMBL8404969 | 0.81 | HPGD (0.97) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| Acetic Acid SCHEMBL8408113 | 0.77 | HPGD (0.88) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL4649397 | 0.75 | AR (0.72) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL30089725 | 0.75 | AR (0.72) | HPGDCYP3A4ALDH1A1MAPTSMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-103415286-A | Compounds and methods for treating pain | AKRON MOLECULES GMBH | 2013-11-27 | — | — | CN | disclosed |