Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3723081 | 0.82 | SIGMAR1 (0.64) | SIGMAR1CYP1A2CYP2D6CYP2C19ACHE | |
| SCHEMBL8913567 | 0.77 | KCNJ1 (0.68) | SIGMAR1 | |
| SCHEMBL4586707 | 0.76 | SIGMAR1 (0.64) | SIGMAR1ACHEALDH1A1TSHRMEN1 | |
| SCHEMBL5845501 | 0.75 | SIGMAR1 (0.56) | SIGMAR1CYP1A2CYP2D6CYP2C19ACHE | |
| SCHEMBL6074155 | 0.75 | SMN1; SMN2 (0.57) | ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL29948580 | 0.75 | SMN1; SMN2 (0.57) | ALDH1A1MEN1KMT2ANPSR1SMN1; SMN2 | |
| SCHEMBL11564609 | 0.74 | SIGMAR1 (0.52) | SIGMAR1ACHEALDH1A1KMT2AKDM4E | |
| SCHEMBL10857838 | 0.74 | SIGMAR1 (0.69) | SIGMAR1ALDH1A1MEN1KMT2APOLB | |
| SCHEMBL11564275 | 0.71 | SIGMAR1 (0.51) | SIGMAR1ACHEALDH1A1MEN1KMT2A | |
| SCHEMBL25255609 | 0.71 | SIGMAR1 (0.57) | SIGMAR1ACHEALDH1A1TSHRMEN1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0431943-B1 | Spiro(pyran)piperidine derivatives | MERCK & CO INC (US) | 1998-07-15 | — | — | EP | disclosed |
| US-5633247-A | ANTIARRTHYMIA AGENT | MERCK & CO., INC. (US) | 1997-05-27 | — | — | US | disclosed |
| EP-0431943-A2 | Nitrogen-containing spirocycles | MERCK & CO. INC. (US) | 1991-06-12 | — | — | EP | disclosed |