Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | PREP | P48147 | 4/20 | 0.40 |
| ▸ | CA12 | O43570 | 4/20 | 0.36 |
| ▸ | CA1 | P00915 | 4/20 | 0.36 |
| ▸ | CA9 | Q16790 | 4/20 | 0.36 |
| ▸ | DRD2 | P14416 | 1/20 | 0.36 |
| ▸ | DRD4 | P21917 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL8138379 | 0.83 | PREP (0.51) | ALDH1A1PREPCA12CA1CA9 | |
| SCHEMBL614621 | 0.83 | PREP (0.47) | ALDH1A1PREPCA12CA1CA9 | |
| SCHEMBL25351640 | 0.82 | PREP (0.40) | ALDH1A1PREPCA12CA1CA9 | |
| SCHEMBL6770995 | 0.81 | PREP (0.46) | ALDH1A1PREPCA12CA1CA9 | |
| SCHEMBL6155719 | 0.78 | CA1 (0.40) | PREPCA12CA1CA9 | |
| SCHEMBL2607317 | 0.78 | PREP (0.51) | ALDH1A1PREPCA12CA1CA9 | |
| SCHEMBL20364924 | 0.78 | PREP (0.55) | PREPCA12CA1CA9ACHE | |
| SCHEMBL20364933 | 0.78 | PREP (0.47) | ALDH1A1PREPCA12CA1CA9 | |
| SCHEMBL2858875 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CA1DRD2DRD4DRD3 | |
| SCHEMBL3853531 | 0.77 | ALDH1A1 (0.68) | ALDH1A1CA1DRD2DRD4DRD3 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050165185-A1 | Preparation of a conjugated molecule and materials for use therein | MERCK PATENT GMBH (DE) | 2005-07-28 | — | — | US | disclosed |
| EP-1499662-A1 | PREPATION OF A CONJUGATED MOLECULE AND MATERIALS FOR USE THEREIN | Avecia Limited (GB) | 2005-01-26 | — | — | EP | disclosed |
| WO-2003089499-A1 | PREPATION OF A CONJUGATED MOLECULE AND MATERIALS FOR USE THEREIN | AVECIA LIMITED (GB) | 2003-10-30 | — | — | WO | disclosed |