Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | IDO1 | P14902 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CASP1 | P29466 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8374954 | 1.00 | CA1 (0.40) | CA1CA2CA9IDO1TP53 | |
| SCHEMBL8376179 | 0.89 | CA1 (0.47) | CA1CA2CA9IDO1RAB9A | |
| SCHEMBL3152841 | 0.82 | KCNH2 (0.46) | TP53SMN1; SMN2KCNH2HTR2A | |
| SCHEMBL8378726 | 0.82 | CA1 (0.41) | CA1CA2CA9IDO1RAB9A | |
| SCHEMBL8374093 | 0.79 | EPHX2 (0.39) | CA1CA2CA9IDO1TP53 | |
| SCHEMBL2590168 | 0.77 | CA1 (0.44) | CA1CA2CA9IDO1RAB9A | |
| SCHEMBL17024350 | 0.76 | SMN1; SMN2 (0.33) | CA1CA2CA9IDO1RAB9A | |
| SCHEMBL8668845 | 0.75 | MEN1 (0.39) | CA1CA2CA9IDO1RAB9A | |
| SCHEMBL28907861 | 0.75 | TDP1 (0.44) | CA1CA2CA9IDO1RAB9A | |
| SCHEMBL5684953 | 0.74 | SMN1; SMN2 (0.35) | CA1CA2CA9IDO1RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| EP-1185239-B1 | PRO-FRAGRANCES | PROCTER & GAMBLE (US) | 2010-03-10 | — | — | EP | claimed |
| EP-1171566-B1 | PRO-FRAGRANCES | PROCTER & GAMBLE (US) | 2004-12-22 | — | — | EP | claimed |
| US-6551987-B1 | For delivering fragrance raw material ketones, preferably alpha , beta -unsaturated ketones, inter alia, damascones, ionones to human skins | THE PROCTER & GAMBLE COMPANY | 2003-04-22 | — | — | US | claimed |
| US-6551987-B1 | For delivering fragrance raw material ketones, preferably alpha , beta -unsaturated ketones, inter alia, damascones, ionones to human skins | THE PROCTER & GAMBLE COMPANY | 2003-04-22 | — | — | US | disclosed |
| US-5919752-A | ORTHOESTERS, KETALS, ACETALS, ORTHOCARBONATES WHICH RELEASE TWO OR MORE FRAGRANCE RAW MATERIALS UPON HYDROLYSIS. | PROCTER & GAMBLE (US) | 1999-07-06 | — | — | US | disclosed |