Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 1/20 | 0.45 |
| ▸ | CES1 | P23141 | 1/20 | 0.45 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.44 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.42 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.42 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL197286 | 0.98 | ACHE (0.54) | ACHECYP3A4CA1CA2CA7 | |
| SCHEMBL29635198 | 0.98 | ACHE (0.54) | ACHECYP3A4CA1CA2CA7 | |
| Hydrochloric Acid SCHEMBL5427158 | 0.95 | ACHE (0.52) | ACHECYP3A4CA1CA2CA7 | |
| SCHEMBL5713343 | 0.95 | ACHE (0.52) | ACHECYP3A4CA1CA2CA7 | |
| SCHEMBL8030637 | 0.91 | CA4 (0.52) | ACHECYP3A4CA1CA2CA7 | |
| SCHEMBL6676480 | 0.91 | CA4 (0.52) | ACHECYP3A4CA1CA2CA7 | |
| SCHEMBL16487759 | 0.90 | ACHE (0.69) | ACHECYP3A4CA1CA2CA7 | |
| 1,3-Dimethoxybenzene SCHEMBL28127423 | 0.85 | MAOB (0.50) | ACHECYP3A4CA1CA2CA7 | |
| SCHEMBL20873235 | 0.85 | ACHE (0.47) | ACHECYP3A4CA1CA2CA7 | |
| SCHEMBL9624468 | 0.85 | ALDH1A1 (0.45) | ACHECYP3A4CA1CA2CA7 |
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-6949609-B2 | Polymeric compositions and uses therefor | SUMITOMO BAKELITE CO., LTD. (JP) | 2005-09-27 | — | — | US | disclosed |
| US-20030176583-A1 | Polymeric compositions and uses therefor | SUMITOMO BAKELITE CO., LTD. (JP) | 2003-09-18 | — | — | US | disclosed |