Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 1/20 | 0.68 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.63 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.47 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL8144387 | 0.98 | MCL1 (0.70) | MCL1MAPK1GABRA1GABRA5SMN1; SMN2 | |
| SCHEMBL10885557 | 0.89 | MCL1 (0.82) | MCL1MAPK1GABRA1GABRA5SMN1; SMN2 | |
| SCHEMBL8131947 | 0.83 | MCL1 (0.68) | MCL1MAPK1SMN1; SMN2ALDH1A1POLB | |
| SCHEMBL27314925 | 0.81 | MCL1 (0.70) | MCL1MAPK1GABRA1GABRA5SMN1; SMN2 | |
| SCHEMBL1720195 | 0.81 | MCL1 (0.70) | MCL1MAPK1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL1720821 | 0.81 | MCL1 (0.70) | MCL1MAPK1ALDH1A1POLBKDM4E | |
| SCHEMBL600072 | 0.81 | MCL1 (1.00) | MCL1MAPK1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL7920884 | 0.79 | MCL1 (0.81) | MCL1MAPK1SMN1; SMN2ALDH1A1KMT2A | |
| SCHEMBL7922437 | 0.78 | MCL1 (0.70) | MCL1MAPK1SMN1; SMN2LMNAALDH1A1 | |
| SCHEMBL7920767 | 0.78 | MAPK1 (1.00) | MCL1MAPK1ALDH1A1KMT2APOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-6083969-A | 2,3-DIARYLPYRAZOLES FUSED WITH CYCLOALKANES AND CYCLOALKENES, USED AS CYCLOOXYGENASE-2 (COX-2) INHIBITOR | ORTHO-MCNEIL PHARACEUTICAL, INC. (US) | 2000-07-04 | — | — | US | disclosed |