Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACKR3 | P25106 | 5/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | MIF | P14174 | 2/20 | 0.46 |
| ▸ | ESRRA | P11474 | 2/20 | 0.46 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | S1PR1 | P21453 | 4/20 | 0.44 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.42 |
| ▸ | DDT | P30046 | 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 | |
|---|---|---|---|---|
| SCHEMBL243268 | 0.82 | GPR119 (0.47) | CA12CA1CA2CA9ESRRA | |
| SCHEMBL16246067 | 0.75 | GPR119 (0.42) | CA12CA1CA2CA9ESRRA | |
| SCHEMBL15355919 | 0.73 | MIF (0.58) | ACKR3CA12CA1CA2CA9 | |
| SCHEMBL24027315 | 0.71 | CA12 (0.48) | CA12CA1CA2CA9S1PR1 | |
| SCHEMBL30399860 | 0.70 | NOTUM (0.56) | CA12CA1CA2CA9ESRRA | |
| SCHEMBL418246 | 0.69 | HDAC1 (0.67) | CA1CA2NPC1TP53MAPK1 | |
| SCHEMBL5904691 | 0.69 | NOTUM (0.66) | CA12CA1CA2CA9ESRRA | |
| SCHEMBL22518496 | 0.69 | P2RX7 (0.46) | MIFNPC1 | |
| Hydrochloric Acid SCHEMBL28941790 | 0.68 | HDAC1 (0.64) | CA1CA2NPC1TP53MAPK1 | |
| SCHEMBL12392669 | 0.68 | ESRRA (0.52) | CA12CA1CA2CA9MIF |
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-20230333113-A1 | DETECTION OF AN ANALYTE OF INTEREST BY NANOESI MASS SPECTROMETRY | ROCHE DIAGNOSTICS GMBH (DE) | 2023-10-19 | — | — | US | disclosed |