Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.42 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.42 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.42 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.42 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.42 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | HTR2C | P28335 | 1/20 | 0.41 |
| ▸ | HTR2B | P41595 | 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 | |
|---|---|---|---|---|
| SCHEMBL4610609 | 0.82 | CYP3A4 (0.55) | TSHRCYP2D6ALDH1A1CYP3A4POLB | |
| SCHEMBL4942336 | 0.81 | TSHR (0.70) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL6158787 | 0.79 | CYP3A4 (0.54) | TSHRCYP2D6ALDH1A1CYP3A4POLB | |
| SCHEMBL6162538 | 0.78 | MEN1 (0.47) | ALDH1A1HTR2CHSD17B10OPRD1OPRK1 | |
| SCHEMBL14434387 | 0.76 | TSHR (0.56) | TSHRCYP2D6ALDH1A1SIGMAR1OPRM1 | |
| SCHEMBL6159676 | 0.75 | L3MBTL1 (0.51) | TSHRCYP2D6ALDH1A1SIGMAR1GRIN2D | |
| SCHEMBL3905409 | 0.74 | LMNA (0.51) | TSHRCYP2D6ALDH1A1SIGMAR1OPRL1 | |
| SCHEMBL4611388 | 0.73 | BRD4 (0.33) | ALDH1A1BRD4 | |
| SCHEMBL3896141 | 0.71 | SIGMAR1 (0.50) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL9377754 | 0.71 | DRD2 (0.51) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 |
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-1979319-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | Solvay Pharmaceuticals GmbH (DE) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007088181-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-08-09 | — | — | WO | disclosed |