Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 7/20 | 0.80 |
| ▸ | PTGS2 | P35354 | 5/20 | 0.74 |
| ▸ | POLB | P06746 | 2/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 2/20 | 0.59 |
| ▸ | MTNR1A | P48039 | 2/20 | 0.58 |
| ▸ | ACHE | P22303 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.57 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.57 |
| ▸ | MPO | P05164 | 1/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | HTR1A | P08908 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | HPGD | P15428 | 1/20 | 0.57 |
| ▸ | NQO2 | P16083 | 1/20 | 0.57 |
| ▸ | HTR2B | P41595 | 1/20 | 0.57 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL28409513 | 0.89 | PTGS1 (1.00) | PTGS1PTGS2POLBMTNR1AMTNR1B | |
| SCHEMBL28292525 | 0.87 | PTGS1 (1.00) | PTGS1PTGS2POLBKMT2AMEN1 | |
| SCHEMBL28409511 | 0.81 | PTGS2 (0.78) | PTGS1PTGS2POLBKMT2ATRPV1 | |
| SCHEMBL28638912 | 0.80 | PTGS2 (0.74) | PTGS1PTGS2POLBKMT2ATRPV1 | |
| SCHEMBL28408669 | 0.80 | PTGS1 (0.74) | PTGS1PTGS2POLBKMT2ATRPV1 | |
| SCHEMBL4852524 | 0.78 | PTGS1 (0.70) | PTGS1PTGS2POLBKMT2ATRPV1 | |
| SCHEMBL6919747 | 0.78 | TRPV1 (0.88) | PTGS1PTGS2POLBKMT2ATRPV1 | |
| SCHEMBL28666623 | 0.78 | PTGS1 (0.82) | PTGS1PTGS2POLBKMT2AMEN1 | |
| SCHEMBL28928726 | 0.78 | PTGS2 (1.00) | PTGS1PTGS2POLBRAB9ACDK4 | |
| SCHEMBL12503790 | 0.78 | ABCG2 (0.71) | PTGS1PTGS2POLBKMT2ATRPV1 |
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-111116449-A | Novel tryptamine derivative and preparation method and application thereof | 兰州大学 | 2020-05-08 | — | — | CN | disclosed |