Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | ELANE | P08246 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.38 |
| ▸ | HTR6 | P50406 | 3/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | AHR | P35869 | 1/20 | 0.36 |
| ▸ | EDNRA | P25101 | 1/20 | 0.36 |
| ▸ | MDM4 | O15151 | 1/20 | 0.36 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22898568 | 0.80 | ITGAL (0.42) | ELANE | |
| SCHEMBL22898575 | 0.79 | PRCP (0.35) | CYP2C9CYP2C19NPSR1CYP3A4ALOX12 | |
| SCHEMBL22898668 | 0.79 | PRCP (0.35) | CYP2C9CYP2C19NPSR1CYP3A4ALOX12 | |
| SCHEMBL22898682 | 0.78 | ITGAL (0.36) | ELANE | |
| SCHEMBL22898501 | 0.78 | ITGAL (0.36) | ELANE | |
| SCHEMBL22898672 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2SCN9A | |
| SCHEMBL22898530 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2SCN9A | |
| SCHEMBL22898527 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2SCN9A | |
| SCHEMBL20702207 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2SCN9A | |
| SCHEMBL17347065 | 0.75 | ALDH1A1 (0.44) | ALDH1A1MEN1KMT2ASMN1; SMN2SCN9A |
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-3154941-B1 | SMALL MOLECULE LFA-1 INHIBITORS | ALLOCYTE PHARMACEUTICALS AG (CH) | 2021-01-20 | — | — | EP | disclosed |