Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | NAMPT | P43490 | 2/20 | 0.40 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.39 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.39 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | HTR3A | P46098 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10299353 | 0.94 | ALDH1A1 (0.42) | ALDH1A1KDM4ELMNANAMPTADRA1D | |
| SCHEMBL10003784 | 0.84 | HTR3A (0.45) | ALDH1A1KDM4EADRA1DADRA1AADRA1B | |
| SCHEMBL10299320 | 0.77 | POLB (0.41) | ALDH1A1KDM4ELMNAGAAKMT2A | |
| SCHEMBL10299336 | 0.76 | LMNA (0.35) | ALDH1A1LMNACYP2C19CYP1A2CYP2C9 | |
| SCHEMBL10299318 | 0.75 | MKNK1 (0.36) | ALDH1A1KDM4EGAACYP2C9KMT2A | |
| SCHEMBL12020094 | 0.75 | SMO (0.36) | ALDH1A1LMNANAMPTADRA1DADRA1A | |
| SCHEMBL10299362 | 0.75 | SRC (0.41) | ALDH1A1KDM4ESMN1; SMN2POLB | |
| SCHEMBL10299272 | 0.73 | MET (0.41) | POLB | |
| SCHEMBL12019568 | 0.73 | ALDH1A1 (0.46) | ALDH1A1KDM4ELMNAGAACYP2C19 | |
| SCHEMBL12019566 | 0.73 | SMO (0.46) | ALDH1A1KMT2ASMN1; SMN2HPGD |
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-2011024872-A1 | FUSED HETEROCYCLIC RING DERIVATIVE AND USE THEREOF | 武田薬品工業株式会社 (JP) | 2011-03-03 | — | — | WO | disclosed |