Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 5/20 | 0.53 |
| ▸ | CNR1 | P21554 | 1/20 | 0.47 |
| ▸ | XIAP | P98170 | 7/20 | 0.46 |
| ▸ | BIRC3 | Q13489 | 7/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | BIRC2 | Q13490 | 4/20 | 0.42 |
| ▸ | HTR3A | P46098 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL22450736 | 1.00 | TNF (0.53) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL22450711 | 1.00 | TNF (0.53) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL22450740 | 0.94 | TNF (0.52) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL24067368 | 0.94 | TNF (0.52) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL22450733 | 0.92 | CNR1 (0.47) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL22450695 | 0.91 | TNF (0.45) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL24067411 | 0.91 | CNR1 (0.46) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL22450744 | 0.91 | TNF (0.45) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL22450712 | 0.91 | CNR1 (0.46) | TNFCNR1XIAPBIRC3CYP3A4 | |
| SCHEMBL22450831 | 0.91 | TNF (0.45) | TNFXIAPBIRC3CYP3A4BIRC2 |
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-3936126-A1 | COMBINATION OF IAP INHIBITOR AND IMMUNE CHECKPOINT INHIBITOR | CHIA TAI TIANQING PHARMACEUTICAL GROUP CO., LTD. (CN) | 2022-01-12 | — | — | EP | disclosed |