Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Metergoline. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 known ✓ | P25021 | 1/20 | 0.72 |
| ▸ | CYP2D6 | P10635 | 5/20 | 0.72 |
| ▸ | LMNA | P02545 | 4/20 | 0.72 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.72 |
| ▸ | MAPT | P10636 | 3/20 | 0.72 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.72 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.72 |
| ▸ | HTR2B | P41595 | 3/20 | 0.72 |
| ▸ | MEN1 | O00255 | 2/20 | 0.72 |
| ▸ | USP2 | O75604 | 2/20 | 0.72 |
| ▸ | TP53 | P04637 | 2/20 | 0.72 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.72 |
| ▸ | TSHR | P16473 | 2/20 | 0.72 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.72 |
| ▸ | HTR7 | P34969 | 2/20 | 0.72 |
| ▸ | HTR6 | P50406 | 2/20 | 0.72 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.72 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.72 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.72 |
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 | |
|---|---|---|---|---|
| Metergoline SCHEMBL7631854 | 0.85 | HTR2B (1.00) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| Metergoline SCHEMBL29392365 | 0.85 | HTR2B (1.00) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| Metergoline SCHEMBL117882 | 0.85 | HTR2B (1.00) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| Metergoline SCHEMBL15440536 | 0.85 | HTR2B (1.00) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| Metergoline SCHEMBL19236127 | 0.85 | HTR2B (1.00) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| SCHEMBL8209067 | 0.78 | HTR2B (0.84) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| SCHEMBL11724011 | 0.76 | HTR2B (0.80) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| SCHEMBL20013753 | 0.75 | HTR2B (0.79) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| SCHEMBL2526351 | 0.73 | HTR2B (0.76) | CYP2D6LMNAKMT2AMAPTTDP1 | |
| SCHEMBL11734714 | 0.72 | CYP2D6 (0.69) | CYP2D6LMNAKMT2AMAPTTDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010101649-A2 | SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION | GASTAMINZA PABLO (US) | 2010-09-10 | — | — | WO | claimed |
| WO-2010101649-A2 | SIGMA 1 RECEPTOR INHIBITION AS A NOVEL THERAPEUTICAL APPROACH AGAINST HEPATITIS C VIRUS INFECTION | GASTAMINZA PABLO (US) | 2010-09-10 | — | — | WO | disclosed |