Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | HTR1A | P08908 | 1/20 | 0.54 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.54 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | HTR3A | P46098 | 1/20 | 0.54 |
| ▸ | BACE1 | P56817 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 3/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28119658 | 0.86 | ABAT (0.48) | MAOBCA12CA1CA2CA4 | |
| SCHEMBL4076437 | 0.83 | APP (0.46) | ALDH1A1L3MBTL1TDP1MAOBCA2 | |
| SCHEMBL9849123 | 0.83 | TAAR1 (0.52) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL5753995 | 0.82 | KMT2A (0.41) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL10598745 | 0.82 | ALDH1A1 (0.33) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL9849186 | 0.82 | TAAR1 (0.55) | TAAR1MAOBCYP2A6HTR2ASMN1; SMN2 | |
| SCHEMBL22589820 | 0.81 | IDO1 (0.48) | TAAR1KDM4EALDH1A1HTR1AADRA2A | |
| SCHEMBL17061043 | 0.79 | CYP3A4 (0.50) | — | |
| SCHEMBL3365610 | 0.79 | PRSS1 (0.39) | ALDH1A1KMT2ACA12CA1CA2 | |
| Tyramine SCHEMBL2190806 | 0.79 | TAAR1 (0.78) | TAAR1KDM4EALDH1A1HTR1AADRA2A |
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 2 patents. 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 | claimed |
| EP-0421436-A2 | Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity | WARNER-LAMBERT COMPANY (US) | 1991-04-10 | — | — | EP | disclosed |