Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.52 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.49 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.49 |
| ▸ | HTR5A | P47898 | 2/20 | 0.47 |
| ▸ | DRD2 | P14416 | 2/20 | 0.46 |
| ▸ | DRD4 | P21917 | 1/20 | 0.45 |
| ▸ | DRD3 | P35462 | 1/20 | 0.45 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.45 |
| ▸ | CCR5 | P51681 | 1/20 | 0.44 |
| ▸ | SLC18A3 | Q16572 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL4658989 | 0.76 | DRD2 (0.54) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL4658921 | 0.76 | LSS (0.48) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL9374358 | 0.72 | SIGMAR1 (0.81) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL1002852 | 0.72 | MEN1 (0.81) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL9521523 | 0.70 | SIGMAR1 (1.00) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL866873 | 0.69 | SIGMAR1 (1.00) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL3762994 | 0.68 | NPC1 (0.51) | SIGMAR1TP53TSHR | |
| SCHEMBL9373391 | 0.67 | SIGMAR1 (1.00) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL6223362 | 0.66 | MEN1 (0.70) | SIGMAR1MEN1KMT2ACYP3A4CYP2D6 | |
| SCHEMBL4658026 | 0.66 | CCR3 (0.63) | SIGMAR1CARM1PRMT6 |
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-1753757-A1 | SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES | Grünenthal GmbH (DE) | 2007-02-21 | — | — | EP | disclosed |
| WO-2005113549-A1 | SUBSTITUTED 2,5-DIAMINOMETHYL-1H-PYRROLES | Grünenthal GmbH (DE) | 2005-12-01 | — | — | WO | disclosed |