Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | TSHR | P16473 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 12/20 | 0.55 |
| ▸ | HTR1D | P28221 | 6/20 | 0.55 |
| ▸ | HTR1B | P28222 | 5/20 | 0.55 |
| ▸ | HTR2B | P41595 | 2/20 | 0.48 |
| ▸ | MPO | P05164 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 6/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.46 |
| ▸ | HTR1E | P28566 | 1/20 | 0.46 |
| ▸ | HTR1F | P30939 | 1/20 | 0.46 |
| ▸ | HTR7 | P34969 | 1/20 | 0.46 |
| ▸ | HTR3A | P46098 | 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 | |
|---|---|---|---|---|
| SCHEMBL3029512 | 0.86 | HTR1A (0.73) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL1121941 | 0.85 | HTR1A (0.76) | CYP2D6HTR1AHTR1DHTR1BHTR2B | |
| SCHEMBL9582186 | 0.84 | KDM4E (0.57) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL8297234 | 0.82 | HTR1D (0.67) | TSHRHTR1AHTR1DHTR1BHTR2B | |
| Iodomethane SCHEMBL11168507 | 0.80 | CYP2D6 (0.51) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 | |
| Hydrochloric Acid SCHEMBL10429786 | 0.79 | CYP2C19 (0.58) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL31415109 | 0.79 | CYP2D6 (0.62) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL11493839 | 0.79 | CYP2D6 (0.62) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 | |
| SCHEMBL443368 | 0.78 | SLC6A4 (0.68) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 | |
| Bromogramine SCHEMBL1196680 | 0.78 | SLC6A4 (0.68) | KDM4EMEN1ALDH1A1CYP3A4CYP2D6 |
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-2007075931-A2 | REACTIVE HETEROCYCLIC DERIVATIVES AND METHODS FOR THEIR SYNTHESIS AND USE | BIOSITE INCORPORATED (US) | 2007-07-05 | — | — | WO | disclosed |