Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.46 |
| ▸ | CHRM3 | P20309 | 4/20 | 0.46 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 3/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.45 |
| ▸ | DRD2 | P14416 | 1/20 | 0.45 |
| ▸ | HTR2A | P28223 | 1/20 | 0.45 |
| ▸ | HTR2C | P28335 | 1/20 | 0.45 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL5127015 | 0.84 | CYP2D6 (0.60) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL8894213 | 0.76 | OPRM1 (0.50) | CHRM2CHRM3HRH3ACHESIGMAR1 | |
| SCHEMBL11889046 | 0.76 | CYP2D6 (0.58) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL12861220 | 0.74 | CYP2D6 (0.61) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL16876722 | 0.74 | TSHR (0.54) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL14716240 | 0.73 | CYP2D6 (0.63) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL23647380 | 0.72 | TSHR (0.58) | TSHRCYP2D6ALDH1A1CHRM2CHRM3 | |
| SCHEMBL27473621 | 0.72 | SIGMAR1 (0.65) | CHRM2CHRM3ACHESIGMAR1DRD2 | |
| SCHEMBL8892930 | 0.72 | ALDH1A1 (0.62) | TSHRCYP2D6ALDH1A1HRH3OPRM1 | |
| SCHEMBL7313593 | 0.71 | CACNA1G (0.53) | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5610142-A | Bradykinin antagonist pseudopeptide derivatives of substituted 4-keto-1,3,8-triazaspiro[4.5]decan-3-alkanoic acids | SCIOS INC. (US) | 1997-03-11 | — | — | US | disclosed |