Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDPK1 | O15530 | 5/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 9/20 | 0.41 |
| ▸ | PIM1 | P11309 | 3/20 | 0.38 |
| ▸ | PIM3 | Q86V86 | 3/20 | 0.38 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | TMIGD3 | P0DMS9 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.37 |
| ▸ | CDC7 | O00311 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL15305910 | 0.80 | PDPK1 (0.54) | PDPK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL16031645 | 0.76 | CYP1A2 (0.66) | PDPK1RAB9AALDH1A1KDM4EHPGD | |
| SCHEMBL20431725 | 0.72 | PDPK1 (0.46) | PDPK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL16256173 | 0.70 | PDPK1 (0.63) | PDPK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL4212348 | 0.70 | NPC1 (0.60) | PDPK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL16384767 | 0.70 | PDPK1 (0.58) | PDPK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL10565996 | 0.70 | PDPK1 (0.58) | PDPK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL31270297 | 0.68 | MEN1 (0.37) | — | |
| SCHEMBL8819138 | 0.67 | PDPK1 (0.54) | PDPK1NPC1RAB9ASMN1; SMN2MAPT | |
| SCHEMBL6119366 | 0.67 | PDPK1 (0.58) | PDPK1NPC1RAB9ASMN1; SMN2MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018024602-A1 | 2,7-DIAZASPIRO[4.4]NONANES | BAYER AKTIENGESELLSCHAFT (DE) | 2018-02-08 | — | — | WO | disclosed |
| WO-2018024602-A1 | 2,7-DIAZASPIRO[4.4]NONANES | BAYER AKTIENGESELLSCHAFT (DE) | 2018-02-08 | — | — | WO | disclosed |
| WO-2017205972-A1 | SYSTEMS METHODS AND COMPOSITIONS FOR PREDICTING METASTASIS IN BLADDER CANCER | GENOMEDX BIOSCIENCES, INC. (CA) | 2017-12-07 | — | — | WO | disclosed |