Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | METAP1 | P53582 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL1240639 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| SCHEMBL2532505 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| SCHEMBL3340061 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| Cyclohexane SCHEMBL12482977 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| SCHEMBL16091690 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| SCHEMBL25310751 | 1.00 | CYP1A2 (0.48) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| SCHEMBL21471 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL4275522 | 0.97 | CYP1A2 (0.46) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| Water SCHEMBL10787450 | 0.97 | CYP1A2 (0.46) | CYP1A2SIGMAR1ESR2HPGDMETAP1 | |
| SCHEMBL80485 | 0.97 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3218425-A1 | SILICONE COMPOUNDS | The Procter and Gamble Company (US) | 2017-09-20 | — | — | EP | disclosed |
| WO-2016077513-A1 | SILICONE COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 2016-05-19 | — | — | WO | disclosed |
| WO-2011075353-A1 | COMPOSITION COMPRISING MICROCAPSULES | THE PROCTER & GAMBLE COMPANY (US) | 2011-06-23 | — | — | WO | disclosed |