Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | PRCP | P42785 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.31 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.31 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.31 |
| ▸ | GRIN2B | Q13224 | 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 | |
|---|---|---|---|---|
| SCHEMBL14524801 | 0.81 | HTR2A (0.35) | HTR2ACYP3A4PRCPMEN1CYP2D6 | |
| SCHEMBL6998988 | 0.77 | CCR2 (0.32) | — | |
| SCHEMBL3369554 | 0.72 | HTR2A (0.37) | HTR2ASIGMAR1CYP3A4PRCPMEN1 | |
| SCHEMBL14101489 | 0.72 | HTR2A (0.37) | HTR2ASIGMAR1CYP3A4PRCPMEN1 | |
| SCHEMBL9153517 | 0.72 | — | — | |
| SCHEMBL21325838 | 0.72 | HTR2A (0.33) | HTR2A | |
| SCHEMBL5403636 | 0.71 | HTR2A (0.37) | HTR2ASIGMAR1CHRNA7 | |
| SCHEMBL5403641 | 0.71 | HTR2A (0.37) | HTR2ASIGMAR1CHRNA7 | |
| SCHEMBL5403647 | 0.71 | HTR2A (0.37) | HTR2ASIGMAR1CHRNA7 | |
| SCHEMBL11272098 | 0.70 | ABCB11 (0.37) | — |
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-4314915-A | Uses in perfumery of ether derivatives of indanes | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1982-02-09 | — | — | US | disclosed |
| US-4301076-A | Isochroman musk compounds and organoleptic uses thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-11-17 | — | — | US | disclosed |
| US-4295978-A | Use of isochroman musk compounds in augmenting or enhancing the aroma of dryer-added fabric softener articles | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-10-20 | — | — | US | disclosed |
| US-4292193-A | ENHANCING THE AROMA OF SOLID OR LIQUID DETERGENTS; FOODS; COSMETICS; TOILETRIES | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-09-29 | — | — | US | disclosed |
| US-4250200-A | Flavoring with a mixture of isochroman musk compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1981-02-10 | — | — | US | disclosed |