Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL20511480 | 1.00 | CHRM2 (0.49) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL2653688 | 0.77 | TSHR (0.53) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL7636115 | 0.75 | CHRM2 (0.52) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL18382542 | 0.75 | — | — | |
| SCHEMBL7636489 | 0.73 | CHRM2 (0.50) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL8713659 | 0.72 | TSHR (0.49) | CHRM2CHRM4CHRM5CHRM1CHRM3 | |
| SCHEMBL22640216 | 0.72 | MEN1 (0.46) | TSHRALDH1A1KDM4EMAPTHPGD | |
| SCHEMBL22640236 | 0.72 | MEN1 (0.46) | TSHRALDH1A1KDM4EMAPTHPGD | |
| Succinic Acid Diethyl Ester SCHEMBL27940678 | 0.72 | SMN1; SMN2 (0.62) | TSHRALDH1A1LMNASMN1; SMN2MEN1 | |
| Biphenyl SCHEMBL5571790 | 0.71 | TSHR (0.54) | TSHRALDH1A1RAB9AADORA3KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| US-10829792-B2 | Biocatalytic synthesis of strained carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-10 | — | — | US | disclosed |
| US-10829792-B2 | Biocatalytic synthesis of strained carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-11-10 | — | — | US | disclosed |
| US-20180305721-A1 | Biocatalytic Synthesis of Strained Carbocycles | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2018-10-25 | — | — | US | disclosed |