Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | PDE4B | Q07343 | 2/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.34 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | TDO2 | P48775 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL25114964 | 0.78 | MAOB (0.45) | RAB9ASMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL26577804 | 0.78 | PTGS2 (0.44) | PTGS2RAB9AKMT2ANPSR1TP53 | |
| SCHEMBL23904742 | 0.77 | PTGS2 (0.41) | PTGS2ALDH1A1 | |
| SCHEMBL23905505 | 0.77 | NOTUM (0.46) | KDM4ELMNAMAPTCYP3A4ALDH1A1 | |
| SCHEMBL30007758 | 0.75 | CA12 (0.44) | PTGS2RAB9ATSHRMRGPRX4LMNA | |
| SCHEMBL23195644 | 0.75 | CA12 (0.44) | PTGS2RAB9ATSHRMRGPRX4LMNA | |
| SCHEMBL30339881 | 0.74 | SMN1; SMN2 (0.44) | SMN1; SMN2KDM4EKMT2ANPSR1TSHR | |
| SCHEMBL20675605 | 0.70 | MEN1 (0.49) | PTGS2RAB9ASMN1; SMN2KDM4EMEN1 | |
| SCHEMBL22428631 | 0.70 | AGBL2 (0.42) | RAB9ASMN1; SMN2KDM4EKMT2ANPSR1 | |
| SCHEMBL24369007 | 0.70 | KLKB1 (0.40) | RAB9ASMN1; SMN2KDM4EMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021198981-A1 | ANTIVIRAL COMPOUNDS AND USES THEREOF | Janssen Biopharma, Inc. (US) | 2021-10-07 | — | — | WO | disclosed |