Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TYK2 | P29597 | 3/20 | 0.40 |
| ▸ | EGFR | P00533 | 7/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.35 |
| ▸ | JAK2 | O60674 | 2/20 | 0.34 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.34 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.34 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.34 |
| ▸ | ZAP70 | P43403 | 4/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17849188 | 0.91 | EGFR (0.40) | EGFRALDH1A1JAK2HDAC3HDAC4 | |
| SCHEMBL17849245 | 0.89 | NPC1 (0.41) | TYK2EGFRKDM4EALDH1A1HPGD | |
| SCHEMBL17849222 | 0.86 | ALDH1A1 (0.36) | TYK2EGFRKDM4EALDH1A1ZAP70 | |
| SCHEMBL17849214 | 0.83 | TYK2 (0.38) | TYK2KDM4EALDH1A1HPGDHSD17B10 | |
| SCHEMBL17849247 | 0.83 | MAPT (0.41) | EGFRKDM4EALDH1A1HDAC3HDAC4 | |
| SCHEMBL17849249 | 0.82 | EGFR (0.40) | EGFRALDH1A1HSD17B10JAK2JAK1 | |
| SCHEMBL17849246 | 0.81 | PARP1 (0.34) | TYK2LRRK2JAK2MAPK14JAK1 | |
| SCHEMBL17849227 | 0.80 | TYK2 (0.42) | TYK2EGFRJAK2HDAC3HDAC4 | |
| SCHEMBL16623493 | 0.80 | TYK2 (0.39) | TYK2JAK2JAK1 | |
| SCHEMBL16623509 | 0.79 | NPC1 (0.46) | EGFRKDM4EALDH1A1HPGDHSD17B10 |
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 |