Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | DRD2 | P14416 | 7/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.37 |
| ▸ | LTA4H | P09960 | 2/20 | 0.36 |
| ▸ | KCNJ1 | P48048 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11375168 | 0.99 | ALDH1A1 (0.41) | ALDH1A1DRD2KMT2ALMNAMAPT | |
| Hydrochloric Acid SCHEMBL11374967 | 0.92 | ALDH1A1 (0.38) | ALDH1A1DRD2KMT2ALMNAMAPT | |
| Hydrochloric Acid SCHEMBL11363026 | 0.90 | ALDH1A1 (0.37) | ALDH1A1DRD2KMT2ALMNAMAPT | |
| SCHEMBL11370945 | 0.88 | LTA4H (0.41) | ALDH1A1DRD2LMNAMAPTSMN1; SMN2 | |
| Hydrochloric Acid SCHEMBL11362521 | 0.88 | TACR2 (0.42) | ALDH1A1MAPTOPRM1KCNH2SIGMAR1 | |
| Hydrochloric Acid SCHEMBL11367863 | 0.87 | LTA4H (0.40) | ALDH1A1DRD2LMNAMAPTSMN1; SMN2 | |
| SCHEMBL11229748 | 0.87 | ALDH1A1 (0.39) | ALDH1A1DRD2KMT2ALMNAMAPT | |
| SCHEMBL11374570 | 0.86 | LMNA (0.40) | ALDH1A1DRD2KMT2ALMNAMAPT | |
| Hydrochloric Acid SCHEMBL11364101 | 0.86 | SIGMAR1 (0.46) | DRD2KMT2ALMNAMAPTOPRM1 | |
| Hydrochloric Acid SCHEMBL11370032 | 0.86 | ALDH1A1 (0.40) | ALDH1A1DRD2LMNAMAPTSMN1; SMN2 |
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-4244961-A | 1-Oxa-3,8-diazaspiro[4.5]decan-2-ones antihypertensive agents | SYNTEX (U.S.A.) INC. (US) | 1981-01-13 | — | — | US | disclosed |