Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 5/20 | 0.49 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | THRB | P10828 | 3/20 | 0.49 |
| ▸ | BLM | P54132 | 3/20 | 0.49 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.49 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.49 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.49 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.49 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.48 |
| ▸ | FABP7 | O15540 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL720341 | 1.00 | CYP2D6 (0.49) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL720340 | 1.00 | CYP2D6 (0.49) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL720740 | 1.00 | CYP2D6 (0.49) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL1491629 | 0.98 | CYP2D6 (0.50) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL8199654 | 0.98 | CYP2D6 (0.50) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL1491633 | 0.98 | CYP2D6 (0.50) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL13086831 | 0.84 | CYP19A1 (0.46) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL13086832 | 0.84 | CYP19A1 (0.46) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL19105458 | 0.83 | CYP2D6 (0.51) | CYP2D6LMNATHRBBLMPMP22 | |
| SCHEMBL2541670 | 0.82 | CYP2D6 (0.47) | CYP2D6LMNATHRBBLMPMP22 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1877098-A2 | ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE | Chroma Therapeutics Limited (GB) | 2008-01-16 | — | — | EP | disclosed |
| WO-2006117567-A2 | ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE | CHROMA THERAPEUTICS LTD (GB) | 2006-11-09 | — | — | WO | disclosed |