Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.31 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7737983 | 0.88 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7739529 | 0.88 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7741521 | 0.88 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7739260 | 0.88 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL60853 | 0.88 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL2177632 | 0.86 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL601589 | 0.86 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL1777453 | 0.86 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL11211959 | 0.86 | ALDH1A1 (0.30) | ALDH1A1 | |
| SCHEMBL11797167 | 0.86 | ALDH1A1 (0.30) | ALDH1A1 |
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-0046679-A2 | Total synthesis of 1RS,4SR,5RS-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo(3.2.1)octane-1-acetic acid | ORTHO PHARMACEUTICAL CORPORATION (US) | 1982-03-03 | — | — | EP | disclosed |
| US-4307019-A | Total synthesis of 1RS,4SR,5RS,-4-(4,8-dimethyl-5-hydroxy-7-nonen-1-yl)-4-methyl-3,8-dioxabicyclo[3.2.1]octane-1-acetic acid | ORTHO PHARMACEUTICAL CORPORATION (US) | 1981-12-22 | — | — | US | disclosed |
| US-4277401-A | MANY STEPS STARTING FROM 1-BROMO-6-METHYL-2-OXO-5-NONEN-9-OIC ACID | ORTHO PHARMACEUTICAL CORPORATION (US) | 1981-07-07 | — | — | US | disclosed |