Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | LIPE | Q05469 | 7/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | GSK3B | P49841 | 1/20 | 0.37 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | FPR2 | P25090 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29709486 | 0.82 | BTK (0.43) | LIPE | |
| SCHEMBL16337053 | 0.82 | BTK (0.43) | LIPE | |
| SCHEMBL23518565 | 0.79 | KMT2A (0.44) | GRM5LIPENPC1RAB9AKMT2A | |
| SCHEMBL20293692 | 0.78 | LIPE (0.39) | LIPENPC1RAB9ASMN1; SMN2 | |
| SCHEMBL19897452 | 0.78 | LIPE (0.41) | LIPENPC1RAB9AHPGDSMN1; SMN2 | |
| SCHEMBL26109550 | 0.77 | POLB (0.50) | HDAC3HDAC1LIPENPC1RAB9A | |
| SCHEMBL2992272 | 0.77 | LIPE (0.51) | LIPENPC1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL30483107 | 0.77 | ALDH1A1 (0.44) | LIPEHPGDSMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL21929107 | 0.77 | ALDH1A1 (0.44) | LIPEHPGDSMN1; SMN2ALDH1A1HSD17B10 | |
| SCHEMBL13893964 | 0.76 | MAPT (0.49) | LIPENPC1RAB9ASMN1; SMN2KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-3013337-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | Abbvie Inc. (US) | 2016-05-04 | — | — | EP | disclosed |
| WO-2014210255-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. (US) | 2014-12-31 | — | — | WO | disclosed |