Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | POLB | P06746 | 2/20 | 0.66 |
| ▸ | NPC1 | O15118 | 1/20 | 0.61 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.61 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.59 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.57 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.55 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.55 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.55 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.53 |
| ▸ | NAAA | Q02083 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.52 |
| ▸ | FAAH | O00519 | 1/20 | 0.52 |
| ▸ | YAP1 | P46937 | 2/20 | 0.52 |
| ▸ | ME2 | P23368 | 1/20 | 0.51 |
| ▸ | ME1 | P48163 | 1/20 | 0.51 |
| ▸ | ME3 | Q16798 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL24043594 | 0.89 | POLB (0.69) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL5369484 | 0.86 | POLB (0.69) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL18435561 | 0.84 | POLB (0.71) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL8540623 | 0.84 | POLB (0.71) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL19982148 | 0.83 | YAP1 (0.51) | POLBGRIN2BCHRNB2CHRNB4CHRNA3 | |
| SCHEMBL16591625 | 0.83 | POLB (0.69) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL8540059 | 0.83 | POLB (0.69) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL5369479 | 0.83 | POLB (0.78) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL4704483 | 0.82 | POLB (0.73) | POLBNPC1TDP1GRIN2BFKBP1A | |
| SCHEMBL6289171 | 0.82 | POLB (0.77) | POLBNPC1TDP1GRIN2BFKBP1A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018053446-A1 | YAP1 INHIBITORS THAT TARGET THE INTERACTION OF YAP1 WITH OCT4 | H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) | 2018-03-22 | — | — | WO | disclosed |