Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.39 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.39 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.39 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 4/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8031695 | 0.85 | ALDH1A1 (0.43) | ALDH1A1HTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8035119 | 0.83 | KDM4E (0.40) | ALDH1A1SMN1; SMN2KMT2AMAPTKDM4E | |
| SCHEMBL8034162 | 0.82 | LRRK2 (0.38) | ALDH1A1HTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8039002 | 0.80 | MAPT (0.39) | ALDH1A1HTTTAS1R3TAS1R1TSHR | |
| SCHEMBL8039016 | 0.80 | HTT (0.42) | ALDH1A1HTTSMN1; SMN2GFERKDM4E | |
| SCHEMBL8025474 | 0.79 | TSHR (0.39) | TSHRKMT2AMAPTKDM4EHPGD | |
| SCHEMBL8037071 | 0.79 | MEN1 (0.47) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL8035589 | 0.78 | TRPV1 (0.41) | ALDH1A1HTTHTR4TSHRPOLB | |
| SCHEMBL8040249 | 0.78 | PYGL (0.47) | ALDH1A1HTTTAS1R3TAS1R1TAS1R2 | |
| SCHEMBL8034159 | 0.78 | ALDH1A1 (0.44) | ALDH1A1HTTTSHRSMN1; SMN2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009081892-A1 | NOVEL CATECHOL DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING THE SAME, AND USE OF THOSE | KISSEI PHARMACEUTICAL CO., LTD. (JP) | 2009-07-02 | — | — | WO | disclosed |