Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.30 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL1601563 | 0.76 | — | — | |
| SCHEMBL14837045 | 0.76 | — | — | |
| SCHEMBL10994618 | 0.72 | TSHR (0.36) | TSHRSLC1A2 | |
| SCHEMBL1566961 | 0.70 | ADH1B (0.31) | — | |
| SCHEMBL27176987 | 0.70 | — | — | |
| SCHEMBL240166 | 0.70 | — | — | |
| SCHEMBL11662820 | 0.70 | TSHR (0.40) | TSHRSLC1A2ALDH1A1TDP1 | |
| SCHEMBL16864907 | 0.70 | ADH1B (0.31) | — | |
| SCHEMBL2738533 | 0.69 | — | — | |
| SCHEMBL11568048 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4547594-A | REACTING AND ACYCLIC, OXO, NITRILE WITH METHYL LITHIUM, THEN HYDROLYSIS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-10-15 | — | — | US | disclosed |
| US-4517385-A | FROM ALDEHYDE-NITRILE AND ACETONE, TOBACCO FLABOR | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1985-05-14 | — | — | US | disclosed |
| US-4489009-A | Process for producing solanone, norsolanadione and intermediates therefor | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-12-18 | — | — | US | disclosed |
| US-4483995-A | ORGANOLEPTIC TOBACCO ADDITIVES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-11-20 | — | — | US | disclosed |
| US-4412083-A | TOBACCO FLAVOR, ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-10-25 | — | — | US | disclosed |