Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | FGFR4 | P22455 | 1/20 | 0.31 |
| ▸ | BCHE | P06276 | 1/20 | 0.31 |
| ▸ | LIPE | Q05469 | 1/20 | 0.31 |
| ▸ | KMO | O15229 | 1/20 | 0.31 |
| ▸ | MAP2K7 | O14733 | 1/20 | 0.30 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.30 |
| ▸ | EGFR | P00533 | 1/20 | 0.30 |
| ▸ | KDR | P35968 | 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 | |
|---|---|---|---|---|
| SCHEMBL1936666 | 0.78 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1HPGDLMNAKDM4E | |
| SCHEMBL1934857 | 0.78 | L3MBTL1 (0.37) | ALDH1A1L3MBTL1HPGDLMNAKDM4E | |
| SCHEMBL6521518 | 0.78 | MMP13 (0.42) | ALDH1A1TSHRHPGDKDM4EGAA | |
| SCHEMBL7769409 | 0.78 | L3MBTL1 (0.48) | ALDH1A1L3MBTL1HPGDGAA | |
| SCHEMBL7767858 | 0.76 | PTK2 (0.40) | L3MBTL1TSHRKDM4EBCHELIPE | |
| SCHEMBL27820544 | 0.74 | KDM4E (0.38) | ALDH1A1L3MBTL1TSHRHPGDLMNA | |
| SCHEMBL1742128 | 0.72 | KMO (0.35) | KMO | |
| SCHEMBL3660791 | 0.72 | KMO (0.38) | KMO | |
| SCHEMBL2918657 | 0.71 | JAK2 (0.39) | ALDH1A1TSHRKDR | |
| SCHEMBL11697983 | 0.71 | ALOX15 (0.38) | ALDH1A1LMNAKDM4EGAAEGFR |
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-2205590-B1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-06-04 | — | — | EP | disclosed |
| EP-2205590-A1 | CGRP ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2010-07-14 | — | — | EP | disclosed |
| WO-2009050235-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| WO-2009050232-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |