Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 2/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | AR | P10275 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA5A | P35218 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | AGXT | P21549 | 2/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.31 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL8105996 | 0.83 | TSHR (0.41) | TSHRACHEMAPTNPC1RAB9A | |
| SCHEMBL8549561 | 0.81 | CYP19A1 (0.42) | TSHRACHEESR1ESR2CYP19A1 | |
| SCHEMBL5962153 | 0.80 | KCNN4 (0.40) | KIF11 | |
| SCHEMBL11039109 | 0.79 | CA1 (0.44) | ACHETDP1MAPTNPC1RAB9A | |
| SCHEMBL11038989 | 0.78 | CYP2D6 (0.39) | TDP1NPC1RAB9AKIF11HPGD | |
| SCHEMBL9507123 | 0.76 | TSHR (0.48) | TSHRACHETDP1MAPTNPC1 | |
| SCHEMBL7614491 | 0.76 | TSHR (0.48) | TSHRACHETDP1MAPTNPC1 | |
| SCHEMBL10534242 | 0.76 | TSHR (0.48) | TSHRACHETDP1MAPTNPC1 | |
| SCHEMBL12139934 | 0.71 | TSHR (0.43) | TSHRACHETDP1ESR1ESR2 | |
| SCHEMBL19543320 | 0.71 | KIF11 (0.47) | KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0975570-B1 | PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES | COGNIS DEUTSCHLAND GMBH (DE) | 2002-09-04 | — | — | EP | claimed |
| US-6376457-B1 | 1-(1,1-DIETHOXYETHYL)-2,4-DIMETHYL BENZENE; DETERGENT, CLEANER, FABRIC SOFTENER, TEXTILE TREATMENT OR COSMETIC COMPOSITION. | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-04-23 | — | — | US | claimed |
| EP-0975570-B1 | PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES | COGNIS DEUTSCHLAND GMBH (DE) | 2002-09-04 | — | — | EP | disclosed |
| US-6376457-B1 | 1-(1,1-DIETHOXYETHYL)-2,4-DIMETHYL BENZENE; DETERGENT, CLEANER, FABRIC SOFTENER, TEXTILE TREATMENT OR COSMETIC COMPOSITION. | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-04-23 | — | — | US | disclosed |