Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | LMNA | P02545 | 2/20 | 0.32 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.32 |
| ▸ | NQO2 | P16083 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.31 |
| ▸ | IDO1 | P14902 | 1/20 | 0.31 |
| ▸ | CES2 | O00748 | 1/20 | 0.31 |
| ▸ | CES1 | P23141 | 1/20 | 0.31 |
| ▸ | LPL | P06858 | 1/20 | 0.31 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.31 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.31 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.31 |
| ▸ | ORAI3 | Q9BRQ5 | 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 | |
|---|---|---|---|---|
| SCHEMBL6903114 | 0.91 | — | — | |
| SCHEMBL338835 | 0.88 | ACHE (0.57) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL9925867 | 0.83 | ACHE (0.44) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL18827728 | 0.78 | ACHE (0.53) | ACHETDP1ALDH1A1CA2CA1 | |
| SCHEMBL12451094 | 0.74 | GAA (0.70) | TDP1ALDH1A1CA2CA1CA7 | |
| SCHEMBL19734142 | 0.72 | ACHE (0.40) | ACHETDP1ALDH1A1LMNAIDO1 | |
| P-Xylene SCHEMBL460348 | 0.67 | ACHE (1.00) | ACHETDP1ALDH1A1CA2CA1 | |
| P-Xylene SCHEMBL11770184 | 0.67 | ACHE (1.00) | ACHETDP1ALDH1A1CA2CA1 | |
| P-Xylene SCHEMBL771 | 0.67 | — | — | |
| P-Xylene SCHEMBL11772917 | 0.67 | ACHE (1.00) | ACHETDP1ALDH1A1CA2CA1 |
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-8298830-B2 | Organic materials able to detect analytes | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2012-10-30 | — | — | US | disclosed |
| US-20100310424-A1 | ORGANIC MATERIALS ABLE TO DETECT ANALYTES | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2010-12-09 | — | — | US | disclosed |