Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MAPT | P10636 | 6/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.50 |
| ▸ | HTT | P42858 | 3/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.50 |
| ▸ | CASP3 | P42574 | 2/20 | 0.50 |
| ▸ | SENP7 | Q9BQF6 | 2/20 | 0.50 |
| ▸ | SENP6 | Q9GZR1 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | NPC1 | O15118 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.49 |
| ▸ | TSHR | P16473 | 7/20 | 0.48 |
| ▸ | POLB | P06746 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3474300 | 0.85 | KMT2A (0.66) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL99885 | 0.82 | KMT2A (0.52) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL16108427 | 0.82 | KMT2A (0.52) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL5319629 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL140655 | 0.80 | KMT2A (0.47) | KMT2A | |
| SCHEMBL4055708 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL5379060 | 0.78 | SMN1; SMN2 (0.52) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL4056881 | 0.78 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL4056213 | 0.76 | ALDH1A1 (0.48) | ALDH1A1MAPTKDM4ESMN1; SMN2HTT | |
| SCHEMBL135296 | 0.76 | — | — |
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-1828199-A1 | THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS | F. Hoffmann-Roche AG (CH) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006063732-A1 | THIENO-PYRIDINE DERIVATIVES AS GABA-B ALLOSTERIC ENHANCERS | F.HOFFMANN-LA ROCHE AG (CH) | 2006-06-22 | — | — | WO | disclosed |