Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.32 |
| ▸ | CA1 | P00915 | 3/20 | 0.32 |
| ▸ | CA2 | P00918 | 3/20 | 0.32 |
| ▸ | CA9 | Q16790 | 3/20 | 0.32 |
| ▸ | PDK1 | Q15118 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL15376451 | 0.83 | SMN1; SMN2 (0.40) | ALDH1A1MAPK1LMNACA12CA1 | |
| SCHEMBL2569178 | 0.80 | KDM4E (0.38) | ALDH1A1MAPK1LMNASMN1; SMN2 | |
| SCHEMBL660702 | 0.80 | ALDH1A1 (0.50) | ALDH1A1MAPK1LMNACA12CA1 | |
| SCHEMBL18764980 | 0.77 | — | — | |
| SCHEMBL20532799 | 0.77 | — | — | |
| SCHEMBL975740 | 0.77 | CA12 (0.41) | ALDH1A1LMNACA12CA1CA2 | |
| SCHEMBL18765020 | 0.77 | — | — | |
| SCHEMBL21435138 | 0.76 | NOS2 (0.42) | HSD11B1 | |
| SCHEMBL16632557 | 0.74 | HSD11B1 (0.34) | ALDH1A1HPGDHSD11B1 | |
| SCHEMBL1769221 | 0.74 | CYP2C19 (0.39) | ALDH1A1LMNAPOLBHPGDHSD11B1 |
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-2384328-A1 | 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR PREPARING THEM | Boehringer Ingelheim International GmbH (DE) | 2011-11-09 | — | — | EP | disclosed |
| WO-2010060952-A1 | 6,7,8,9-TETRAHYDRO-5H-1,4,7,10A-TETRAAZA-CYCLOHEPT[F]INDENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESSES FOR PREPARING THEM | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-06-03 | — | — | WO | disclosed |