Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 1/20 | 0.64 |
| ▸ | RAB9A | P51151 | 7/20 | 0.61 |
| ▸ | NPC1 | O15118 | 6/20 | 0.61 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | CASP3 | P42574 | 1/20 | 0.56 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.56 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.56 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.56 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | TP53 | P04637 | 1/20 | 0.54 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.54 |
| ▸ | RELA | Q04206 | 1/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL6219389 | 0.79 | KEAP1 (0.64) | GRM5RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL1499498 | 0.78 | GRM5 (1.00) | GRM5RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL678733 | 0.77 | GRM5 (0.70) | GRM5RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL31358814 | 0.77 | KEAP1 (0.66) | GRM5RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL678702 | 0.77 | GRM5 (0.66) | GRM5RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL3790885 | 0.76 | KEAP1 (0.70) | GRM5RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL30690400 | 0.76 | KEAP1 (0.70) | GRM5RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL7058035 | 0.76 | RAB9A (0.79) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL8133663 | 0.76 | RAB9A (1.00) | RAB9ANPC1KMT2AMEN1POLB | |
| SCHEMBL592306 | 0.75 | GRM5 (0.58) | GRM5RAB9ANPC1KMT2AMEN1 |
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 4 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 | claimed |
| WO-2014210255-A1 | PRIMARY CARBOXAMIDES AS BTK INHIBITORS | ABBVIE INC. (US) | 2014-12-31 | — | — | WO | claimed |
| 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 |