Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.42 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.42 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MLLT1 | Q03111 | 3/20 | 0.41 |
| ▸ | MLLT3 | P42568 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 6/20 | 0.40 |
| ▸ | RAB9A | P51151 | 6/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.40 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL6166741 | 0.89 | MLLT1 (0.39) | HDAC3HDAC1HDAC2HDAC10HDAC8 | |
| SCHEMBL6167181 | 0.87 | PDE7A (0.43) | HDAC3HDAC1HDAC2HDAC10HDAC8 | |
| SCHEMBL6612867 | 0.85 | NPC1 (0.39) | NPC1RAB9AKMT2ASMN1; SMN2MEN1 | |
| SCHEMBL6609371 | 0.81 | CREBBP (0.38) | KMT2AMEN1 | |
| SCHEMBL6607287 | 0.81 | SLC6A9 (0.40) | KMT2AHPGDMEN1SLC6A9 | |
| SCHEMBL6634587 | 0.81 | GABRA5 (0.44) | KMT2AMEN1 | |
| SCHEMBL6610028 | 0.79 | CYP1A2 (0.44) | HDAC3HDAC1HDAC2HDAC10HDAC8 | |
| SCHEMBL6607953 | 0.79 | CREBBP (0.38) | KMT2AS1PR1MEN1 | |
| SCHEMBL2431523 | 0.78 | GRIN1 (0.42) | RAB9ALMNATP53TSHRCYP1A2 | |
| SCHEMBL6163707 | 0.77 | USP30 (0.36) | HDAC3HDAC1HDAC2HDAC10HDAC8 |
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-1379511-A1 | DIHYDRO-BENZO (b) (1, 4) DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2004-01-14 | — | — | EP | disclosed |
| WO-2002083652-A1 | DIHYDRO-BENZO [b] [1, 4] DIAZEPIN-2-ONE DERIVATIVES AS MGLUR2 ANTAGONISTS II | F. HOFFMANN-LA ROCHE AG (CH) | 2002-10-24 | — | — | WO | disclosed |