Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | RECQL | P46063 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | PKM | P14618 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 3/20 | 0.40 |
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | CA2 | P00918 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL73415 | 0.80 | LMNA (0.58) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL13824939 | 0.70 | ALOX5 (0.35) | — | |
| SCHEMBL20562110 | 0.70 | KDM4E (0.44) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL3705592 | 0.70 | IDO1 (0.47) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL16345751 | 0.70 | F2RL3 (0.46) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL25469348 | 0.68 | KDM4E (0.43) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL28592427 | 0.68 | ALDH1A1 (0.64) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL2128656 | 0.67 | MCL1 (0.60) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL73726 | 0.67 | ALDH1A1 (0.45) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 | |
| SCHEMBL7917308 | 0.67 | IMPDH2 (0.51) | KDM4EALDH1A1SMN1; SMN2HPGDHSD17B10 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012150305-A1 | NOVEL ANTIFUNGAL 5,6-DIHYDRO-4H-PYRROLO[1,2-a][1,4]BENZO- DIAZEPINES AND 6H-PYRROLO[1,2-a][1,4]BENZODIAZEPINES SUBSTITUTED WITH HETEROCYCLIC DERIVATIVES | JANSSEN PHARMACEUTICA NV (BE) | 2012-11-08 | — | — | WO | disclosed |