Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | CDK4 | P11802 | 3/20 | 0.41 |
| ▸ | CCND1 | P24385 | 3/20 | 0.41 |
| ▸ | TBXAS1 | P24557 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.38 |
| ▸ | WNT3A | P56704 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL22123574 | 0.83 | TBXAS1 (0.36) | TAAR1CDK4CCND1TBXAS1 | |
| SCHEMBL22123712 | 0.79 | NOS1 (0.38) | KMT2AGAATSHRMAPK1 | |
| SCHEMBL2228231 | 0.76 | KMT2A (0.71) | KMT2ATAAR1SMN1; SMN2TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL9227330 | 0.74 | NR1H4 (0.47) | KMT2ACDK4CCND1 | |
| SCHEMBL2228382 | 0.74 | KMT2A (0.63) | KMT2AGAASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL10269519 | 0.74 | KMT2A (0.63) | KMT2ASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL15108850 | 0.72 | KMT2A (0.61) | KMT2ASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL14454157 | 0.72 | KMT2A (0.61) | KMT2ASMN1; SMN2TSHRMAPK1 | |
| SCHEMBL13942360 | 0.72 | CDK4 (0.76) | CDK4CCND1 | |
| SCHEMBL20858854 | 0.72 | KMT2A (0.60) | KMT2AGAASMN1; SMN2TSHRMAPK1 |
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-3898630-B1 | NOVEL IMIDAZOPYRAZINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2023-05-10 | — | — | EP | disclosed |