Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | EGFR | P00533 | 5/20 | 0.38 |
| ▸ | ZAP70 | P43403 | 5/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.35 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | HDAC7 | Q8WUI4 | 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 | |
|---|---|---|---|---|
| SCHEMBL17849188 | 0.91 | EGFR (0.40) | MAPTALDH1A1NPC1RAB9AEGFR | |
| SCHEMBL17849227 | 0.91 | TYK2 (0.42) | EGFRZAP70HDAC3HDAC4HDAC1 | |
| SCHEMBL17849222 | 0.90 | ALDH1A1 (0.36) | MAPTALDH1A1KDM4ETDP1NPC1 | |
| SCHEMBL17849244 | 0.83 | TYK2 (0.40) | ALDH1A1KDM4EEGFRZAP70HDAC3 | |
| SCHEMBL17849249 | 0.81 | EGFR (0.40) | ALDH1A1EGFRMAOB | |
| SCHEMBL17849223 | 0.81 | MAPT (0.41) | MAPTALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL16623493 | 0.79 | TYK2 (0.39) | — | |
| SCHEMBL16623509 | 0.79 | NPC1 (0.46) | MAPTALDH1A1KDM4ENPC1RAB9A | |
| SCHEMBL17849216 | 0.79 | AR (0.33) | NPC1RAB9AEGFRZAP70 | |
| SCHEMBL17849225 | 0.77 | PDCD1 (0.36) | — |
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 |