Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 4/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | ACHE | P22303 | 2/20 | 0.34 |
| ▸ | BACE1 | P56817 | 1/20 | 0.34 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.33 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.33 |
| ▸ | TACR2 | P21452 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SHBG | P04278 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.33 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27310869 | 1.00 | PTGS2 (0.37) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| SCHEMBL1081409 | 1.00 | PTGS2 (0.37) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| SCHEMBL27619070 | 1.00 | PTGS2 (0.37) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| Hydrochloric Acid SCHEMBL27842725 | 0.98 | PTGS2 (0.36) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| Hydrochloric Acid SCHEMBL28787484 | 0.98 | PTGS2 (0.36) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| Hydrochloric Acid SCHEMBL27525574 | 0.98 | PTGS2 (0.36) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| Hydrochloric Acid SCHEMBL6527104 | 0.98 | PTGS2 (0.36) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| Hydrochloric Acid SCHEMBL6905212 | 0.98 | PTGS2 (0.36) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| SCHEMBL27619175 | 0.98 | PTGS2 (0.35) | PTGS2CYP3A4ACHEBACE1ESR1 | |
| SCHEMBL5139278 | 0.92 | — | — |
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-3526300-A1 | CONTACT ADHESIVES | Clariant Plastics & Coatings Ltd (CH) | 2019-08-21 | — | — | EP | disclosed |
| CN-1130385-C | Oxidised metallocene-polyolefin waxes | BASF AG (DE) | 2003-12-10 | — | — | CN | disclosed |
| CN-1216998-A | Oxidized Metallocene Polyolefin Waxes | BASF AG (DE) | 1999-05-19 | — | — | CN | disclosed |