Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.46 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.46 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.46 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.43 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.42 |
| ▸ | FAAH | O00519 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL14469298 | 0.90 | MEN1 (0.47) | ALDH1A1MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL14469569 | 0.89 | ALDH1A1 (0.47) | ALDH1A1ALDH1A2ALDH2ALDH3A1ALDH1A3 | |
| SCHEMBL14469187 | 0.89 | MEN1 (0.43) | ALDH1A1CYP3A4CYP2D6MEN1KMT2A | |
| SCHEMBL14469365 | 0.86 | KDM4E (0.48) | ALDH1A1MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL14469193 | 0.86 | POLB (0.43) | ALDH1A1MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL14469170 | 0.86 | KDM4E (0.48) | ALDH1A1MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL14469177 | 0.85 | MEN1 (0.44) | ALDH1A1MEN1KMT2ATSHRSMN1; SMN2 | |
| SCHEMBL14469172 | 0.85 | EPHX2 (0.49) | MEN1KMT2ARAB9A | |
| SCHEMBL14469364 | 0.85 | CYP2C19 (0.46) | ALDH1A1KMT2ATSHRSMN1; SMN2POLB | |
| SCHEMBL14469186 | 0.84 | ALDH1A1 (0.47) | ALDH1A1MEN1KMT2ATSHRSMN1; 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 |
|---|---|---|---|---|---|---|---|
| WO-2007075555-A2 | COMBINATION OF AN H3 ANTAGONIST/INVERSE AGONIST AND AN APPETITE SUPPRESSANT | SCHERING CORPORATION (US) | 2007-07-05 | — | — | WO | disclosed |