Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCAT2 | O15382 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | MAPK8 | P45983 | 2/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 2/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | PTK2 | Q05397 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | IKBKB | O14920 | 3/20 | 0.31 |
| ▸ | CHUK | O15111 | 2/20 | 0.31 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629027 | 0.82 | PTPN2 (0.43) | ALDH1A1KMT2AMEN1MAPK1KDM4E | |
| SCHEMBL28202713 | 0.80 | BCAT2 (0.46) | BCAT2ALDH1A1KMT2AMEN1MAPT | |
| Lithium Ion SCHEMBL31078451 | 0.78 | KMT2A (0.31) | BCAT2KMT2AGSK3B | |
| SCHEMBL30432306 | 0.76 | PKM (0.42) | BCAT2ALDH1A1KMT2AMEN1MAPT | |
| SCHEMBL8626891 | 0.75 | KMT2A (0.31) | ALDH1A1KMT2AMEN1MAPK1KDM4E | |
| SCHEMBL1986526 | 0.75 | KMT2A (0.30) | KMT2A | |
| SCHEMBL17629366 | 0.72 | — | — | |
| SCHEMBL8629005 | 0.72 | KMT2A (0.46) | ALDH1A1KMT2AMEN1MAPTMAPK8 | |
| SCHEMBL1366984 | 0.70 | — | — | |
| SCHEMBL56103 | 0.70 | — | — |
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-2890691-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | Principia Biopharma Inc. (US) | 2015-07-08 | — | — | EP | claimed |
| WO-2014036016-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2014-03-06 | — | — | WO | claimed |
| EP-2890691-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | Principia Biopharma Inc. (US) | 2015-07-08 | — | — | EP | disclosed |
| WO-2014036016-A1 | BENZIMIDAZOLE DERIVATIVES AS ITK INHIBITORS | PRINCIPIA BIOPHARMA INC. (US) | 2014-03-06 | — | — | WO | disclosed |