Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 5/20 | 0.44 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.44 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.44 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.44 |
| ▸ | DRD2 | P14416 | 2/20 | 0.44 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.44 |
| ▸ | DRD4 | P21917 | 2/20 | 0.44 |
| ▸ | DRD3 | P35462 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Undecane SCHEMBL8468032 | 0.84 | TSHR (0.62) | CYP1A2SIGMAR1TSHRCYP2D6CYP2C19 | |
| Heptane SCHEMBL9302529 | 0.84 | TSHR (0.62) | CYP1A2SIGMAR1TSHRCYP2D6CYP2C19 | |
| Hexane SCHEMBL11580856 | 0.82 | TSHR (0.65) | CYP1A2SIGMAR1TSHRCYP2D6CYP2C19 | |
| SCHEMBL28284434 | 0.80 | GBA1 (0.57) | CYP1A2SIGMAR1CHRM2CHRM4CHRM5 | |
| SCHEMBL4803094 | 0.80 | GBA1 (0.57) | CYP1A2SIGMAR1CHRM2CHRM4CHRM5 | |
| Octane SCHEMBL4861483 | 0.80 | TSHR (0.55) | CYP1A2SIGMAR1TSHRCYP2D6CYP2C19 | |
| SCHEMBL597805 | 0.80 | CYP1A2 (0.76) | CYP1A2SIGMAR1TSHRALDH1A1 | |
| SCHEMBL607721 | 0.80 | CYP1A2 (0.76) | CYP1A2SIGMAR1TSHRALDH1A1 | |
| SCHEMBL598137 | 0.80 | CYP1A2 (0.76) | CYP1A2SIGMAR1TSHRALDH1A1 | |
| SCHEMBL599537 | 0.80 | CYP1A2 (0.76) | CYP1A2SIGMAR1TSHRALDH1A1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9612059-B2 | Systems and methods of thermal transfer and/or storage | BLUELAGOON TECHNOLOGIES LTD. (US) | 2017-04-04 | — | — | US | claimed |
| US-20110120673-A1 | SYSTEMS AND METHODS OF THERMAL TRANSFER AND/OR STORAGE | BLUELAGOON TECHNOLOGIES LTD. | 2011-05-26 | — | — | US | claimed |