Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.56 |
| ▸ | TAAR1 | Q96RJ0 | 7/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | HTR1A | P08908 | 1/20 | 0.52 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.52 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | HTR3A | P46098 | 1/20 | 0.52 |
| ▸ | BACE1 | P56817 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | PGK1 | P00558 | 4/20 | 0.52 |
| ▸ | PGK2 | P07205 | 4/20 | 0.52 |
| ▸ | BLM | P54132 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL1617420 | 0.83 | PGK1 (0.67) | ENPP2PGK1PGK2SMN1; SMN2 | |
| SCHEMBL2574093 | 0.82 | PGK1 (0.55) | ENPP2PGK1PGK2SMN1; SMN2LOXL2 | |
| SCHEMBL532694 | 0.82 | PGK1 (0.55) | ENPP2ALDH1A1PGK1PGK2TDP1 | |
| SCHEMBL9445950 | 0.80 | TAAR1 (0.53) | TAAR1PGK1PGK2 | |
| SCHEMBL27635376 | 0.78 | ENPP2 (0.56) | ENPP2PGK1PGK2KMT2ATDP1 | |
| SCHEMBL11419948 | 0.78 | ENPP2 (0.56) | ENPP2PGK1PGK2SMN1; SMN2 | |
| SCHEMBL11309961 | 0.78 | ENPP2 (0.72) | ENPP2KDM4EALDH1A1L3MBTL1PGK1 | |
| Tyramine SCHEMBL12807120 | 0.78 | TAAR1 (0.78) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL14808766 | 0.78 | TAAR1 (0.52) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL27630942 | 0.78 | ENPP2 (0.51) | ENPP2ALDH1A1PGK1PGK2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0421436-A2 | Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |