Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 9/20 | 0.89 |
| ▸ | HTR2C | P28335 | 3/20 | 0.89 |
| ▸ | HTR1D | P28221 | 3/20 | 0.89 |
| ▸ | HTR6 | P50406 | 3/20 | 0.89 |
| ▸ | MPO | P05164 | 2/20 | 0.89 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.89 |
| ▸ | HTR1B | P28222 | 2/20 | 0.89 |
| ▸ | HTR7 | P34969 | 2/20 | 0.89 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.89 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.89 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.89 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.89 |
| ▸ | CTSK | P43235 | 1/20 | 0.89 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.89 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.89 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.86 |
| ▸ | HTR1A | P08908 | 5/20 | 0.60 |
| ▸ | HTR2B | P41595 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| Tryptamine SCHEMBL1172195 | 0.95 | HTR2A (0.93) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL26725 | 0.94 | HTR2A (1.00) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL29373222 | 0.94 | HTR2A (1.00) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL8714244 | 0.94 | HTR2A (1.00) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL10874156 | 0.93 | HTR2A (0.96) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL9472063 | 0.93 | HTR2A (0.96) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL599675 | 0.93 | HTR2A (0.96) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL274183 | 0.93 | PMP22 (1.00) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL22127053 | 0.93 | HTR2A (0.96) | HTR2AHTR2CHTR1DHTR6MPO | |
| Tryptamine SCHEMBL4936407 | 0.93 | HTR2A (0.96) | HTR2AHTR2CHTR1DHTR6MPO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4431817-A | ADRENERIC STIMULANTS; DECARBOXYLASE INHIBITORS; HYPOTENSIVE AGENTS; ANTISECRETORY AGENTS; ANTIULCER AGENTS | MERCK & CO., INC. (US) | 1984-02-14 | — | — | US | disclosed |
| US-4431821-A | HYPOTENSIVE AND ANTISECRETORY AGENTS; PARKINSON'S DISEASE | MERCK & CO., INC. (US) | 1984-02-14 | — | — | US | disclosed |
| EP-0000036-B1 | FLUORINATED ALKYLAMINES AND PROCESS FOR PREPARING SAME | MERCK & CO. INC. (US) | 1981-10-14 | — | — | EP | disclosed |
| EP-0000036-A1 | Fluorinated alkylamines and process for preparing same | MERCK & CO. INC. (US) | 1978-12-20 | — | — | EP | disclosed |