Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.42 |
| ▸ | ADRA2C | P18825 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GBA1 | P04062 | 1/20 | 0.36 |
| ▸ | USP2 | O75604 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8097234 | 0.86 | TAAR1 (0.52) | TAAR1ADRA2AADRA2BADRA2CNPC1 | |
| SCHEMBL5088326 | 0.83 | TAAR1 (0.50) | TAAR1ADRA2AADRA2BADRA2CCYP2C19 | |
| SCHEMBL8844474 | 0.80 | TAAR1 (0.41) | TAAR1ADRA2AADRA2BADRA2CNPC1 | |
| SCHEMBL6709746 | 0.80 | TAAR1 (0.41) | TAAR1ADRA2AADRA2BADRA2CNPC1 | |
| SCHEMBL150608 | 0.76 | — | — | |
| SCHEMBL4683423 | 0.75 | — | — | |
| SCHEMBL8308430 | 0.75 | — | — | |
| SCHEMBL7467583 | 0.74 | TAAR1 (0.40) | TAAR1NPC1RAB9ASMN1; SMN2CYP2C19 | |
| Methane SCHEMBL8089297 | 0.74 | — | — | |
| SCHEMBL28824213 | 0.74 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1109551-A4 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | COMPETITIVE TECH INC (US) | 2004-10-20 | — | — | EP | disclosed |
| EP-1109551-A1 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | Competitive Technologies, Inc. (US) | 2001-06-27 | — | — | EP | disclosed |
| WO-2000010564-A1 | 4-AMINO-3-MERCAPTO-1,2,4-TRIAZOLES | COMPETITIVE TECHNOLOGIES, INC. (US) | 2000-03-02 | — | — | WO | disclosed |