Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.50 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4729505 | 0.83 | TAAR1 (0.54) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| Ammonia Solution, Strong SCHEMBL28852825 | 0.82 | TAAR1 (0.52) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL2336435 | 0.81 | TAAR1 (0.47) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL10728212 | 0.80 | KMT2A (0.50) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL3657993 | 0.80 | TAAR1 (0.55) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL5310132 | 0.80 | KMT2A (0.50) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL23094084 | 0.80 | TAAR1 (0.50) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL9685393 | 0.80 | KMT2A (0.50) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL8413088 | 0.79 | TAAR1 (0.46) | TAAR1PTGS1PTGS2ADRA2AADRA2B | |
| SCHEMBL95274 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105367427-B | Chiral 1,2 diamine compounds and its preparation method and application | 北京大学深圳研究生院 | 2018-03-13 | — | — | CN | disclosed |