Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 14/20 | 0.54 |
| ▸ | HTR2A | P28223 | 3/20 | 0.54 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.54 |
| ▸ | PYCR1 | P32322 | 3/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 7/20 | 0.42 |
| ▸ | SLC6A3 | Q01959 | 7/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | THRB | P10828 | 1/20 | 0.40 |
| ▸ | G6PD | P11413 | 1/20 | 0.40 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | HKDC1 | Q2TB90 | 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 | |
|---|---|---|---|---|
| SCHEMBL12989930 | 0.85 | SLC6A4 (0.65) | SLC6A4HTR2AKCNH2SLC6A2SLC6A3 | |
| SCHEMBL30643153 | 0.82 | PYCR1 (0.63) | SLC6A4HTR2AKCNH2PYCR1SLC6A2 | |
| SCHEMBL16553471 | 0.81 | PYCR1 (0.61) | SLC6A4PYCR1SLC6A2SLC6A3TDP1 | |
| Trimethylammonium SCHEMBL9757385 | 0.79 | KMT2A (0.44) | SLC6A4HTR2AKCNH2PYCR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL8648703 | 0.79 | PYCR1 (0.59) | SLC6A4PYCR1SLC6A2SLC6A3TDP1 | |
| SCHEMBL11316837 | 0.78 | PYCR1 (0.59) | SLC6A4HTR2AKCNH2PYCR1SLC6A2 | |
| SCHEMBL13932525 | 0.78 | AMY1A (0.42) | SLC6A4HTR2AKCNH2CYP1A2CYP2C19 | |
| SCHEMBL2355598 | 0.78 | TAAR1 (0.40) | SLC6A4HTR2AKCNH2TDP1CYP1A2 | |
| Trimethylammonium SCHEMBL8855699 | 0.78 | PSEN1 (0.39) | SLC6A4HTR2AKCNH2PYCR1KDM4E | |
| SCHEMBL3197622 | 0.78 | SLC6A4 (0.54) | SLC6A4HTR2AKCNH2PYCR1SLC6A2 |
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-8106031-B2 | Hydrolytically-resistant boron-containing therapeutics and methods of use | ANACOR PHARMACEUTICALS, INC. (US) | 2012-01-31 | — | — | US | disclosed |