Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 1/20 | 0.61 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.51 |
| ▸ | PARP1 | P09874 | 6/20 | 0.50 |
| ▸ | AOC3 | Q16853 | 2/20 | 0.49 |
| ▸ | ERN1 | O75460 | 1/20 | 0.49 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | CSF1R | P07333 | 1/20 | 0.46 |
| ▸ | FLT1 | P17948 | 1/20 | 0.46 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | CFD | P00746 | 1/20 | 0.46 |
| ▸ | DHFR | P00374 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL45866 | 0.89 | PARP1 (0.57) | BCL2PARP1 | |
| SCHEMBL10243328 | 0.88 | BCL2 (0.55) | BCL2PARP1AOC3ERN1DHODH | |
| SCHEMBL10243641 | 0.88 | BCL2 (0.55) | BCL2PARP1AOC3ERN1DHODH | |
| Hydrochloric Acid SCHEMBL27603084 | 0.87 | PARP1 (0.55) | BCL2PARP1 | |
| SCHEMBL12894987 | 0.84 | BCL2 (0.78) | BCL2PTGS2DHFR | |
| SCHEMBL172996 | 0.84 | CFD (0.61) | PARP1AOC3ERN1DHODHCFD | |
| SCHEMBL4940681 | 0.84 | IKBKB (0.56) | PARP1AOC3ERN1DHODHCFD | |
| SCHEMBL31422694 | 0.83 | PARP1 (0.64) | PARP1ERN1DHODH | |
| SCHEMBL2431097 | 0.83 | PARP1 (0.64) | PARP1ERN1DHODH | |
| SCHEMBL12269244 | 0.83 | ERN1 (0.49) | PARP1AOC3ERN1DHODHCFD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019154366-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF | 江苏奥赛康药业有限公司 | 2019-08-15 | — | — | WO | disclosed |
| EP-1768966-B1 | COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS | INFINITY DISCOVERY INC (US) | 2012-03-07 | — | — | EP | disclosed |