Predicted protein targets (top 2)
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 | |
|---|---|---|---|---|
| SCHEMBL21217658 | 0.83 | ALDH1A1 (0.31) | ALDH1A1TDP1 | |
| SCHEMBL13594456 | 0.82 | ALDH1A1 (0.48) | ALDH1A1TDP1 | |
| SCHEMBL18954081 | 0.79 | FFAR1 (0.30) | ALDH1A1 | |
| SCHEMBL8329716 | 0.77 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL8329719 | 0.77 | ALDH1A1 (0.48) | ALDH1A1 | |
| SCHEMBL22296650 | 0.77 | ALDH1A1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL18870064 | 0.74 | — | — | |
| SCHEMBL3123775 | 0.74 | — | — | |
| SCHEMBL16241036 | 0.74 | ALDH1A1 (0.68) | ALDH1A1TDP1 | |
| SCHEMBL18338746 | 0.73 | ALDH1A1 (0.51) | ALDH1A1TDP1 |
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-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | claimed |
| US-5929094-A | NOVEL 3-((SUBSTITUTED) HETEROCYCLE),6-(SUBSTITUTED PHENYL)-1-OXASPIRO(4.4)NONANE DERIVATIVES; ANTAGONIZING THE EFFECT OF SUBSTANCE P BY ADMINISTERING TO BLOCK NEUROKININ-1 RECEPTORS; TREATING INFLAMMATION, MIGRAINE, EMESIS AND ASTHMA | MERCK & CO., INC. (US) | 1999-07-27 | — | — | US | disclosed |