Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 6/20 | 0.62 |
| ▸ | MPO | P05164 | 4/20 | 0.50 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.49 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | GPR17 | Q13304 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | RIPK3 | Q9Y572 | 1/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL21657996 | 0.84 | TNF (0.54) | TNFMPORIPK1HTTSMN1; SMN2 | |
| SCHEMBL17828308 | 0.82 | TNF (0.55) | TNFMPORIPK1HTTSMN1; SMN2 | |
| SCHEMBL17828364 | 0.80 | TNF (0.53) | TNFMPORIPK1HTTSMN1; SMN2 | |
| SCHEMBL30873950 | 0.79 | MPO (0.76) | MPORIPK1S1PR1HTTSMN1; SMN2 | |
| SCHEMBL21396194 | 0.79 | MPO (0.76) | MPORIPK1S1PR1HTTSMN1; SMN2 | |
| SCHEMBL31000610 | 0.77 | TNF (1.00) | TNFMPORIPK1HPGDCYP2C19 | |
| SCHEMBL14432968 | 0.77 | TNF (1.00) | TNFMPORIPK1HPGDCYP2C19 | |
| SCHEMBL17828412 | 0.77 | TNF (1.00) | TNFMPORIPK1HPGDCYP2C19 | |
| SCHEMBL18509269 | 0.77 | HTR2A (0.63) | MPORIPK1S1PR1HTTSMN1; SMN2 | |
| SCHEMBL21658065 | 0.76 | TNF (0.48) | TNFMPORIPK1HTTSMN1; SMN2 |
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-9944628-B2 | Inhibitors of cellular necrosis and related methods | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2018-04-17 | — | — | US | disclosed |