Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR1 | P21554 | 2/20 | 0.35 |
| ▸ | CNR2 | P34972 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | KLK1 | P06870 | 2/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.33 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.33 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL13552194 | 0.84 | LMNA (0.45) | CNR1CNR2LMNACYP3A4MEN1 | |
| SCHEMBL13554417 | 0.81 | SCN8A (0.34) | ALDH1A1TSHRL3MBTL1 | |
| SCHEMBL6877955 | 0.79 | AR (0.37) | CNR1CNR2ALDH1A1HSD17B10HTR1A | |
| SCHEMBL6875629 | 0.76 | HRH1 (0.41) | LMNAALDH1A1HSD17B10CYP3A4TSHR | |
| SCHEMBL13552212 | 0.74 | HTR1B (0.44) | LMNACYP3A4MEN1NR1I2CHRM2 | |
| SCHEMBL6876936 | 0.74 | PRSS1 (0.47) | — | |
| SCHEMBL6872377 | 0.74 | PRSS1 (0.47) | — | |
| SCHEMBL13894378 | 0.70 | ALDH1A1 (0.42) | LMNAALDH1A1HSD17B10CYP3A4MAPT | |
| SCHEMBL10051307 | 0.69 | SLC6A4 (0.39) | CNR1CNR2HTR1AADRA1DADRA1A | |
| SCHEMBL6873632 | 0.69 | CYP2D6 (0.46) | ALDH1A1CYP2D6MTNR1AMTNR1B |
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-2011050276-A1 | METHODS OF USING MACROCYCLIC INHIBITORS OF SERINE PROTEASE ENZYMES | TRANZYME PHARMA, INC. (US) | 2011-04-28 | — | — | WO | disclosed |