Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | APLNR | P35414 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | HTR6 | P50406 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HTR3A | P46098 | 3/20 | 0.43 |
| ▸ | HTR3E | A5X5Y0 | 2/20 | 0.43 |
| ▸ | HTR3B | O95264 | 2/20 | 0.43 |
| ▸ | HTR3D | Q70Z44 | 2/20 | 0.43 |
| ▸ | HTR3C | Q8WXA8 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | HTR1A | P08908 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL6931603 | 0.82 | CYP2D6 (0.51) | KDM4EKMT2AMEN1SLC6A2SLC6A4 | |
| SCHEMBL392360 | 0.77 | CYP1A2 (0.62) | ALDH1A1TDP1KDM4EGAAKMT2A | |
| SCHEMBL4866789 | 0.76 | GFER (0.43) | ALDH1A1TDP1KDM4EGAAKMT2A | |
| SCHEMBL6931864 | 0.75 | HTT (0.54) | ALDH1A1KDM4EKMT2AMEN1 | |
| SCHEMBL13186651 | 0.75 | APLNR (0.56) | ALDH1A1KMT2AMEN1APLNR | |
| SCHEMBL22460434 | 0.74 | APLNR (0.56) | ALDH1A1TDP1KDM4EGAAKMT2A | |
| SCHEMBL11552442 | 0.73 | APLNR (0.59) | ALDH1A1KMT2AMEN1APLNR | |
| SCHEMBL4753301 | 0.72 | TSHR (0.59) | ALDH1A1KDM4EKMT2AMEN1TSHR | |
| SCHEMBL18763127 | 0.72 | ADRB1 (0.53) | ALDH1A1HTR3AHTR3EHTR3BHTR3D | |
| Piperazine SCHEMBL16716811 | 0.72 | APLNR (0.53) | ALDH1A1KDM4EKMT2AMEN1APLNR |
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-1366030-A2 | MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS | Neurogen Corporation (US) | 2003-12-03 | — | — | EP | claimed |
| WO-2002004433-A2 | MELANIN CONCENTRATING HORMONE RECEPTOR LIGANDS | NEUROGEN CORPORATION (US) | 2002-01-17 | — | — | WO | claimed |