Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 11/20 | 0.52 |
| ▸ | MEN1 | O00255 | 10/20 | 0.52 |
| ▸ | RAB9A | P51151 | 8/20 | 0.52 |
| ▸ | NPC1 | O15118 | 7/20 | 0.52 |
| ▸ | GAA | P10253 | 5/20 | 0.52 |
| ▸ | MAPT | P10636 | 6/20 | 0.49 |
| ▸ | POLB | P06746 | 4/20 | 0.49 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | HPGD | P15428 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | FABP4 | P15090 | 2/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | FABP3 | P05413 | 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 | |
|---|---|---|---|---|
| SCHEMBL22877134 | 0.85 | KDM4E (0.45) | KMT2AMEN1RAB9ANPC1GAA | |
| SCHEMBL29711839 | 0.85 | MEN1 (0.54) | KMT2AMEN1RAB9ANPC1GAA | |
| SCHEMBL17855808 | 0.81 | KMT2A (0.54) | KMT2AMEN1RAB9ANPC1GAA | |
| SCHEMBL23616124 | 0.80 | CLCN2 (0.44) | KMT2AMEN1RAB9ANPC1GAA | |
| SCHEMBL20466128 | 0.79 | KMT2A (0.58) | KMT2AMEN1RAB9ANPC1GAA | |
| SCHEMBL22365614 | 0.78 | MEN1 (0.47) | KMT2AMEN1MAPTALDH1A1TDP1 | |
| SCHEMBL21118611 | 0.78 | KDM4E (0.51) | ALDH1A1KDM4ESMN1; SMN2FABP4FABP3 | |
| SCHEMBL21118622 | 0.78 | NPC1 (0.43) | KMT2AMEN1RAB9ANPC1GAA | |
| SCHEMBL16254534 | 0.78 | NPC1 (0.74) | KMT2AMEN1RAB9ANPC1GAA | |
| SCHEMBL1522386 | 0.78 | NPC1 (0.74) | KMT2AMEN1RAB9ANPC1GAA |
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-3287454-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-02-28 | — | — | EP | disclosed |