Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | F13A1 | P00488 | 1/20 | 0.33 |
| ▸ | TGM2 | P21980 | 1/20 | 0.33 |
| ▸ | TLR4 | O00206 | 1/20 | 0.32 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.31 |
| ▸ | KDM4B | O94953 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | DOHH | Q9BU89 | 1/20 | 0.31 |
| ▸ | GEMIN4 | P57678 | 1/20 | 0.31 |
| ▸ | HSF1 | Q00613 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MITF | O75030 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL11205631 | 1.00 | ALDH1A1 (0.43) | ALDH1A1KMT2ACA1CA2CA4 | |
| SCHEMBL11213716 | 0.80 | ALDH1A1 (0.37) | ALDH1A1TLR4 | |
| SCHEMBL11213717 | 0.80 | ALDH1A1 (0.37) | ALDH1A1TLR4 | |
| SCHEMBL11213720 | 0.80 | ALDH1A1 (0.37) | ALDH1A1TLR4 | |
| SCHEMBL13799374 | 0.79 | KMT2A (0.32) | KMT2A | |
| SCHEMBL28564147 | 0.76 | KMT2A (0.44) | ALDH1A1KMT2ACA1CA2CA4 | |
| SCHEMBL2197669 | 0.73 | KMT2A (0.37) | KMT2ACA1CA2CA4 | |
| SCHEMBL2197675 | 0.73 | KMT2A (0.37) | KMT2ACA1CA2CA4 | |
| SCHEMBL2197677 | 0.73 | KMT2A (0.37) | KMT2ACA1CA2CA4 | |
| SCHEMBL4052075 | 0.71 | ACHE (0.34) | KMT2A |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0015412-B1 | UNSATURATED MACROCYCLIC KETONES; THEIR PREPARATION; PREPARATION OF SATURATED MACROCYCLIC KETONES; APPLICATION IN PERFUME AND FLAVOUR COMPOSITIONS OF SOME UNSATURATED MACROCYCLIC KETONES | FIRMENICH SA (CH) | 1983-05-18 | — | — | EP | claimed |
| US-4346023-A | FLAVORS, PERFUMES | FIRMENICH SA (CH) | 1982-08-24 | — | — | US | claimed |
| EP-0015412-A2 | Unsaturated macrocyclic ketones; their preparation; preparation of saturated macrocyclic ketones; application in perfume and flavour compositions of some unsaturated macrocyclic ketones | FIRMENICH SA (CH) | 1980-09-17 | — | — | EP | claimed |
| EP-0015412-B1 | UNSATURATED MACROCYCLIC KETONES; THEIR PREPARATION; PREPARATION OF SATURATED MACROCYCLIC KETONES; APPLICATION IN PERFUME AND FLAVOUR COMPOSITIONS OF SOME UNSATURATED MACROCYCLIC KETONES | FIRMENICH SA (CH) | 1983-05-18 | — | — | EP | disclosed |
| US-4346023-A | FLAVORS, PERFUMES | FIRMENICH SA (CH) | 1982-08-24 | — | — | US | disclosed |
| US-4302607-A | CYCLOPENTADECANONES | FIRMENICH SA (CH) | 1981-11-24 | — | — | US | disclosed |
| EP-0015412-A2 | Unsaturated macrocyclic ketones; their preparation; preparation of saturated macrocyclic ketones; application in perfume and flavour compositions of some unsaturated macrocyclic ketones | FIRMENICH SA (CH) | 1980-09-17 | — | — | EP | disclosed |