Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 7/20 | 0.51 |
| ▸ | NPC1 | O15118 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 5/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | CDK2 | P24941 | 1/20 | 0.51 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.51 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.50 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.49 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.49 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.49 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.49 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.49 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.49 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.49 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.49 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.49 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL20759692 | 0.86 | HDAC3 (0.42) | ALOX15NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL28023283 | 0.77 | — | — | |
| SCHEMBL22372145 | 0.75 | AR (0.57) | ALOX15NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL20811945 | 0.75 | CRBN (0.60) | — | |
| SCHEMBL27496110 | 0.74 | HCAR2 (0.70) | ALOX15NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL298545 | 0.73 | — | — | |
| SCHEMBL1577007 | 0.73 | — | — | |
| SCHEMBL10719763 | 0.72 | HCAR2 (0.61) | ALOX15NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL6622536 | 0.70 | HDAC3 (0.63) | ALOX15NPC1RAB9ASMN1; SMN2L3MBTL1 | |
| SCHEMBL30415896 | 0.69 | KLKB1 (0.41) | ALOX15NPC1RAB9ASMN1; SMN2L3MBTL1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-102317259-B | Fungicidal N-(phenylcycloalkyl) carboxylic acid amides, N-(benzylic cycloalkyl group) carboxylic acid amides and thiocarboxamide derivative | BAYER CROPSCIENCE AG (DE) | 2015-12-02 | — | — | CN | disclosed |
| EP-2051980-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | Brystol-Myers Squibb Company (US) | 2009-04-29 | — | — | EP | disclosed |
| WO-2008021924-A1 | PYRROLOTRIAZINE KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-02-21 | — | — | WO | disclosed |