Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.35 |
| ▸ | TUBB | P07437 | 1/20 | 0.35 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.35 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.35 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.35 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.35 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.35 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.35 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.35 |
| ▸ | TUBA3E | Q6PEY2 | 1/20 | 0.35 |
| ▸ | TUBA1A | Q71U36 | 1/20 | 0.35 |
| ▸ | TUBA1C | Q9BQE3 | 1/20 | 0.35 |
| ▸ | TUBB6 | Q9BUF5 | 1/20 | 0.35 |
| ▸ | TUBB2B | Q9BVA1 | 1/20 | 0.35 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21720119 | 0.80 | CA1 (0.39) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL3376870 | 0.79 | NQO1 (0.39) | ALDH1A1MEN1KMT2ARAB9AL3MBTL1 | |
| SCHEMBL21720120 | 0.75 | ESR1 (0.32) | ALDH1A1TUBB4ATUBBTUBA3CTUBA1B | |
| SCHEMBL7253081 | 0.71 | KDM4E (0.35) | ALDH1A1KMT2ARAB9AARRXRA | |
| SCHEMBL8121568 | 0.71 | LMNA (0.34) | MEN1KMT2AL3MBTL1KDM4E | |
| SCHEMBL2068764 | 0.71 | CA4 (0.40) | MEN1KMT2ARAB9A | |
| SCHEMBL4067102 | 0.70 | — | — | |
| SCHEMBL130154 | 0.70 | ESR1 (0.42) | — | |
| SCHEMBL15112532 | 0.70 | — | — | |
| SCHEMBL8126929 | 0.69 | F2 (0.37) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3019487-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2016-05-18 | — | — | EP | disclosed |
| CN-105358544-A | Heterocyclic compound | TAKEDA PHARMACEUTICAL | 2016-02-24 | — | — | CN | disclosed |
| WO-2015005489-A1 | HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2015-01-15 | — | — | WO | disclosed |
| WO-2011046771-A1 | SUBSTITUTED PIPERIDINES THAT INCREASE p53 ACTIVITY AND THE USES THEREOF | SCHERING CORPORATION (US) | 2011-04-21 | — | — | WO | disclosed |
| EP-1458685-B1 | SUBSTITUTED PHENYL DERIVATIVES | BAYER CROPSCIENCE GMBH (DE) | 2007-05-02 | — | — | EP | disclosed |