Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 4/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1025201 | 0.77 | ALDH1A1 (0.36) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| Hydrochloric Acid SCHEMBL9440324 | 0.73 | HTR2C (0.34) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| SCHEMBL8770717 | 0.73 | ALDH1A1 (0.32) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| SCHEMBL8024877 | 0.73 | CYP1A2 (0.32) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| SCHEMBL7056170 | 0.72 | HTR2C (0.32) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| Bromide SCHEMBL8034463 | 0.72 | ALDH1A1 (0.33) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| Hydrochloric Acid SCHEMBL4634124 | 0.72 | ALDH1A1 (0.33) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| SCHEMBL16223534 | 0.72 | CYP1A2 (0.31) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| SCHEMBL9145287 | 0.72 | ALDH1A1 (0.31) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 | |
| Hydrochloric Acid SCHEMBL6938723 | 0.72 | HTR2C (0.37) | HTR2CCYP1A2CYP2A6ALDH1A1CA1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1049704-B1 | BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS | BASELL POLYOLEFINE GMBH (DE) | 2005-07-27 | — | — | EP | disclosed |