Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | EGFR | P00533 | 7/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.35 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | JAK2 | O60674 | 1/20 | 0.35 |
| ▸ | JAK1 | P23458 | 1/20 | 0.35 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL16623511 | 0.84 | TYK2 (0.38) | PARP1JAK2 | |
| SCHEMBL16623558 | 0.83 | PARP1 (0.34) | PARP1 | |
| SCHEMBL16623596 | 0.82 | HDAC6 (0.34) | EGFRPARP1 | |
| SCHEMBL16623580 | 0.82 | PARP1 (0.34) | SMN1; SMN2EGFRRAB9AALDH1A1PARP1 | |
| SCHEMBL16726656 | 0.80 | PTGS2 (0.33) | PARP1 | |
| SCHEMBL17849218 | 0.79 | HDAC6 (0.40) | SMN1; SMN2ALDH1A1PARP1 | |
| SCHEMBL18052621 | 0.79 | BRD4 (0.34) | EGFRPARP1 | |
| SCHEMBL16623485 | 0.78 | PARP1 (0.37) | NPC1RAB9APARP1KMT2A | |
| SCHEMBL16623583 | 0.78 | EGFR (0.42) | HDAC1EGFRHDAC3HDAC2ALDH1A1 | |
| SCHEMBL16726648 | 0.78 | KDR (0.33) | PARP1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |
| US-9371320-B2 | Heterocyclic compound | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2016-06-21 | — | — | US | disclosed |