Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 2/20 | 0.50 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.50 |
| ▸ | PGR | P06401 | 1/20 | 0.50 |
| ▸ | RNF4 | P78317 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.49 |
| ▸ | LTA4H | P09960 | 1/20 | 0.49 |
| ▸ | CNR1 | P21554 | 2/20 | 0.48 |
| ▸ | CNR2 | P34972 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | G6PC1 | P35575 | 1/20 | 0.47 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | TAS2R14 | Q9NYV8 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL305633 | 0.82 | TSHR (0.45) | ALDH1A1LMNATSHRTRPM8 | |
| SCHEMBL2093212 | 0.81 | CYP2C19 (0.59) | ALDH1A1LMNANR3C1NPSR1CNR1 | |
| SCHEMBL5541684 | 0.80 | TP53 (0.48) | ALDH1A1LMNACNR1CNR2TSHR | |
| SCHEMBL2085584 | 0.78 | KCNA5 (0.44) | NR3C1CNR1CNR2TDP1TAS2R14 | |
| SCHEMBL2096014 | 0.78 | HTR2A (0.40) | ALDH1A1CNR2TSHR | |
| SCHEMBL2094147 | 0.78 | CNR1 (0.43) | NR3C1PGRCNR1CNR2G6PC1 | |
| SCHEMBL2091209 | 0.78 | L3MBTL1 (0.43) | ALDH1A1LMNANR3C1CNR2MAPK1 | |
| SCHEMBL27787417 | 0.78 | MAOB (0.44) | ALDH1A1NR3C1CNR2TSHRTDP1 | |
| SCHEMBL7001778 | 0.78 | CYP2C19 (0.63) | ALDH1A1LMNANR3C1PGRRNF4 | |
| SCHEMBL5544762 | 0.77 | NR1H4 (0.48) | ALDH1A1LMNAACHE |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4617401-A | ANTISPASMODIC AGENTS, VASODILATORS | SUNTORY LTD. (JP) | 1986-10-14 | — | — | US | claimed |
| EP-0039903-A2 | 8-Substituted pyrrolizidines and quaternary ammonium salts thereof | SUNTORY KABUSHIKI KAISHA (JP) | 1981-11-18 | — | — | EP | claimed |
| US-4617401-A | ANTISPASMODIC AGENTS, VASODILATORS | SUNTORY LTD. (JP) | 1986-10-14 | — | — | US | disclosed |
| EP-0039903-A2 | 8-Substituted pyrrolizidines and quaternary ammonium salts thereof | SUNTORY KABUSHIKI KAISHA (JP) | 1981-11-18 | — | — | EP | disclosed |