Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 8/20 | 0.55 |
| ▸ | DRD2 | P14416 | 1/20 | 0.55 |
| ▸ | DRD1 | P21728 | 1/20 | 0.55 |
| ▸ | ACHE | P22303 | 2/20 | 0.44 |
| ▸ | NOS1 | P29475 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | NOS3 | P29474 | 1/20 | 0.43 |
| ▸ | NOS2 | P35228 | 1/20 | 0.43 |
| ▸ | HTR6 | P50406 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9849181 | 0.86 | TAAR1 (0.53) | TAAR1DRD2DRD1ACHENOS1 | |
| SCHEMBL9849124 | 0.82 | TAAR1 (0.54) | TAAR1CYP2D6MAOBCYP2A6HTR2A | |
| SCHEMBL27850575 | 0.81 | CYP19A1 (0.47) | ACHEMAOB | |
| SCHEMBL9849212 | 0.81 | CYP4F2 (0.36) | NOS1CYP2D6NOS3NOS2 | |
| Butane SCHEMBL5301919 | 0.78 | BCL2 (0.37) | SMN1; SMN2 | |
| SCHEMBL29149475 | 0.77 | IDO1 (0.55) | TAAR1MAOB | |
| SCHEMBL27370550 | 0.77 | IDO1 (0.55) | TAAR1MAOB | |
| SCHEMBL9849384 | 0.77 | MMP3 (0.47) | LMNA | |
| SCHEMBL659100 | 0.77 | TAAR1 (0.70) | TAAR1DRD2DRD1NOS1CYP2D6 | |
| SCHEMBL28119658 | 0.76 | ABAT (0.48) | MAOBLOXL2 |
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 |