Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP8 | P22894 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | SYK | P43405 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 3/20 | 0.35 |
| ▸ | POLB | P06746 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.32 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.31 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL4233769 | 0.83 | — | — | |
| SCHEMBL11709877 | 0.82 | CYP2D6 (0.50) | CYP2D6CYP2C19CA12CA1CA2 | |
| Hydrochloric Acid SCHEMBL10822892 | 0.80 | CA12 (0.50) | CYP2D6CYP2C19CA12CA1CA2 | |
| SCHEMBL14844704 | 0.80 | CYP2D6 (0.48) | CYP2D6CYP2C19SMN1; SMN2TSHRALDH1A1 | |
| SCHEMBL19435264 | 0.80 | CYP2D6 (0.48) | CYP2D6CYP2C19CA12CA1CA2 | |
| SCHEMBL3544030 | 0.79 | CYP2D6 (0.46) | CYP2D6CYP2C19MAPK1 | |
| SCHEMBL18983111 | 0.79 | CYP2D6 (0.46) | CYP2D6CYP2C19MAPK1 | |
| SCHEMBL14844611 | 0.79 | CYP2D6 (0.46) | CYP2D6CYP2C19MAPK1 | |
| SCHEMBL28960765 | 0.78 | CYP2D6 (0.37) | CYP2D6CYP2C19CA12CA1CA2 | |
| SCHEMBL14844622 | 0.78 | CYP2D6 (0.42) | CYP2D6CYP2C19SMN1; SMN2TSHRALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114269794-A | Catalyst components for the polymerization of olefins | 巴塞尔聚烯烃意大利有限公司 | 2022-04-01 | — | — | CN | disclosed |
| EP-1797065-A4 | ACYCLIC 1,3-DIAMINES AND USES THEREFOR | SMITHKLINE BEECHAM CORP (US) | 2009-03-04 | — | — | EP | disclosed |
| EP-1797065-A2 | ACYCLIC 1,3-DIAMINES AND USES THEREFOR | SMITHKLINE BEECHAM CORPORATION (US) | 2007-06-20 | — | — | EP | disclosed |
| WO-2006029210-A2 | ACYCLIC 1,3-DIAMINES AND USES THEREFOR | SMITHKLINE BEECHAM CORPORATION (US) | 2006-03-16 | — | — | WO | disclosed |