Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | TSHR | P16473 | 3/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.44 |
| ▸ | GALR3 | O60755 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | PGR | P06401 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Acetic Acid Butyl Ester SCHEMBL11469747 | 0.89 | ALDH1A1 (0.67) | ALDH1A1TSHRCHRM1CHRM2CHRM4 | |
| Acetic Acid Butyl Ester SCHEMBL28080124 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRCHRM1CHRM2CHRM4 | |
| Acetic Acid Butyl Ester SCHEMBL28080215 | 0.87 | ALDH1A1 (0.64) | ALDH1A1TSHRCHRM1CHRM2CHRM4 | |
| Octane SCHEMBL28080256 | 0.85 | ALDH1A1 (0.62) | ALDH1A1TSHRLMNAFAAH | |
| SCHEMBL1214198 | 0.85 | — | — | |
| SCHEMBL26183 | 0.85 | — | — | |
| SCHEMBL28816092 | 0.85 | TSHR (0.56) | ALDH1A1TSHRCHRM1CHRM2CHRM4 | |
| SCHEMBL2983907 | 0.85 | — | — | |
| Ethyl Acetate SCHEMBL9247479 | 0.83 | ALDH1A1 (0.61) | ALDH1A1TSHRCHRM1CHRM2CHRM4 | |
| Acetic Acid Propyl Ester SCHEMBL638351 | 0.83 | TSHR (0.61) | ALDH1A1TSHRCHRM1CHRM2CHRM4 |
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 |
|---|---|---|---|---|---|---|---|
| US-4317932-A | Preparation of secondary amines | W. R. GRACE & CO. (US) | 1982-03-02 | — | — | US | disclosed |
| US-4312965-A | Process for forming amine/amide containing polymers | W. R. GRACE & CO. (US) | 1982-01-26 | — | — | US | disclosed |