Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MTNR1A | P48039 | 1/20 | 0.49 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.48 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.47 |
| ▸ | HTR1A | P08908 | 2/20 | 0.47 |
| ▸ | HTR2C | P28335 | 2/20 | 0.47 |
| ▸ | HTR2B | P41595 | 2/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HMGCR | P04035 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL26135696 | 0.84 | HTR2A (0.59) | MTNR1AMTNR1BTAAR1HTR2ACYP3A4 | |
| SCHEMBL13868273 | 0.83 | TAAR1 (0.58) | TAAR1HTR2ACYP3A4HMGCRPTGS2 | |
| SCHEMBL3391657 | 0.82 | HTR2A (0.52) | MTNR1AMTNR1BTAAR1HTR2ACYP3A4 | |
| Ammonia Solution, Strong SCHEMBL28100094 | 0.81 | HMGCR (0.58) | MTNR1AMTNR1BTAAR1HTR2ACYP3A4 | |
| SCHEMBL4982275 | 0.80 | PDE4A (0.57) | MTNR1AMTNR1BHTR2ACYP3A4HTR1A | |
| SCHEMBL24199093 | 0.79 | PDE4A (0.47) | MTNR1AMTNR1BTAAR1HTR2ACYP3A4 | |
| SCHEMBL30600118 | 0.78 | TAAR1 (0.65) | TAAR1HTR2ACYP3A4TSHRHMGCR | |
| SCHEMBL12845585 | 0.78 | TAAR1 (0.65) | TAAR1HTR2ACYP3A4TSHRHMGCR | |
| SCHEMBL1096518 | 0.78 | MTNR1A (0.54) | MTNR1AMTNR1BCYP3A4TSHRNFKB1 | |
| SCHEMBL2949402 | 0.78 | TAAR1 (0.71) | TAAR1HTR2ACYP3A4HTR2CTSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-7517867-B2 | Topoisomerase-targeting agents | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2009-04-14 | — | — | US | disclosed |