Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | MTOR | P42345 | 1/20 | 0.36 |
| ▸ | ADK | P55263 | 1/20 | 0.36 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.35 |
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | KCNK13 | Q9HB14 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9255222 | 0.81 | ALDH1A1 (0.47) | ALDH1A1KMT2APOLBTLR8CYP1A2 | |
| SCHEMBL5047485 | 0.79 | NISCH (0.36) | NISCHALDH1A1KMT2APOLBMTOR | |
| SCHEMBL11011484 | 0.75 | NISCH (0.38) | NISCHALDH1A1KMT2APOLBMTOR | |
| SCHEMBL15822692 | 0.75 | ESR1 (0.35) | ALDH1A1KMT2APOLBTLR8CYP3A4 | |
| SCHEMBL462620 | 0.74 | ESR1 (0.60) | ALDH1A1KMT2APOLBCYP3A4CYP2C9 | |
| SCHEMBL28796695 | 0.74 | NISCH (0.40) | NISCHALDH1A1KMT2AMTORADK | |
| SCHEMBL9369328 | 0.72 | HSD17B10 (0.55) | NISCHALDH1A1KMT2AMTORADK | |
| SCHEMBL137042 | 0.71 | ALDH1A1 (0.69) | ALDH1A1KMT2APOLBTLR8CA12 | |
| SCHEMBL3534451 | 0.71 | BRD4 (0.46) | NISCHALDH1A1KMT2AMTORADK | |
| SCHEMBL6709692 | 0.70 | ALDH1A1 (0.41) | ALDH1A1KMT2APOLBTLR8ESR1 |
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-1675578-A2 | USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES | Probiodrug AG (DE) | 2006-07-05 | — | — | EP | disclosed |
| WO-2005039548-A2 | USE OF EFFECTORS OF GLUTAMINYL AND GLUTAMATE CYCLASES | PROBIODRUG AG (DE) | 2005-05-06 | — | — | WO | disclosed |