Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.41 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA4 | P22748 | 3/20 | 0.38 |
| ▸ | CA6 | P23280 | 3/20 | 0.38 |
| ▸ | CA5A | P35218 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | CA5B | Q9Y2D0 | 3/20 | 0.38 |
| ▸ | CA3 | P07451 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | F13A1 | P00488 | 2/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.36 |
| ▸ | THPO | P40225 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | CASP2 | P42575 | 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 | |
|---|---|---|---|---|
| SCHEMBL17705642 | 0.97 | CA12 (0.40) | CYP2C19CYP1A2CA12CA2CA4 | |
| SCHEMBL15782998 | 0.92 | CA12 (0.36) | CYP2C19CYP1A2CA12CA2CA4 | |
| SCHEMBL17705631 | 0.88 | CA12 (0.36) | CYP2C19CYP1A2CA12CA2CA4 | |
| SCHEMBL15492268 | 0.85 | CA12 (0.55) | CYP2C19CYP1A2CA12CA2CA4 | |
| SCHEMBL15783005 | 0.85 | CYP2C19 (0.42) | CYP2C19CYP1A2CA12CA2CA4 | |
| SCHEMBL15492269 | 0.85 | CA12 (0.55) | CYP2C19CYP1A2CA12CA2CA4 | |
| SCHEMBL15782745 | 0.84 | — | — | |
| SCHEMBL15782739 | 0.84 | — | — | |
| SCHEMBL17399199 | 0.84 | — | — | |
| SCHEMBL17705644 | 0.83 | CA12 (0.35) | CYP2C19CYP1A2CA12CA2CA4 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9439968-B2 | Amine-containing lipidoids and uses thereof | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2016-09-13 | — | — | US | disclosed |