Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | MAPT | P10636 | 10/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | HCAR3 | P49019 | 4/20 | 0.41 |
| ▸ | BCL2L1 | Q07817 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.38 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | BCL2 | P10415 | 2/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL18642009 | 1.00 | KMT2A (0.49) | KMT2AMAPTALDH1A1MEN1POLB | |
| SCHEMBL18630958 | 0.90 | BCL2L1 (0.47) | KMT2AMAPTALDH1A1MEN1POLB | |
| SCHEMBL18631232 | 0.79 | KMT2A (0.47) | KMT2AMAPTALDH1A1MEN1POLB | |
| SCHEMBL18630763 | 0.79 | BCL2 (0.48) | KMT2AMAPTALDH1A1MEN1POLB | |
| SCHEMBL18631299 | 0.77 | PTGER4 (0.37) | MAPTALDH1A1BCL2L1LMNABCL2 | |
| SCHEMBL31129864 | 0.75 | TSHR (0.45) | KMT2AMAPTALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL18631000 | 0.73 | MAPT (0.51) | KMT2AMAPTALDH1A1MEN1POLB | |
| SCHEMBL18641977 | 0.73 | MAPT (0.47) | KMT2AMAPTALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL18641976 | 0.73 | MAPT (0.47) | KMT2AMAPTALDH1A1MEN1SMN1; SMN2 | |
| SCHEMBL7179435 | 0.70 | KAT2B (0.64) | KMT2AMAPTALDH1A1POLBHCAR3 |
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-3350177-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | Merck Patent GmbH (DE) | 2018-07-25 | — | — | EP | disclosed |
| WO-2017049068-A1 | HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-03-23 | — | — | WO | disclosed |