Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.31 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA7 | P43166 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | GLA | P06280 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | RAB9A | P51151 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL4626316 | 0.78 | KDM4E (0.32) | KDM4EMEN1NPC1ALDH1A1LMNA | |
| SCHEMBL29008018 | 0.69 | TSHR (0.45) | CA12CA1CA2CA7CA9 | |
| Hydrochloric Acid SCHEMBL29008069 | 0.68 | TSHR (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9797391 | 0.60 | KDM4E (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7425087 | 0.60 | KDM4E (0.59) | CA12CA1CA2CA7CA9 | |
| SCHEMBL29105832 | 0.60 | TSHR (0.59) | CA2POLBKDM4EALDH1A1LMNA | |
| SCHEMBL30585963 | 0.59 | BRD4 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9748650 | 0.58 | KMT2A (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL30958562 | 0.58 | KDM4E (0.47) | POLBKDM4EMEN1ALDH1A1LMNA | |
| SCHEMBL6026672 | 0.58 | ATM (0.41) | KDM4EMEN1NPC1ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1732541-A4 | CYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL (JP) | 2008-03-05 | — | — | EP | disclosed |
| EP-1732541-A2 | CYCLIC COMPOUNDS | Takeda Pharmaceutical Company Limited (JP) | 2006-12-20 | — | — | EP | disclosed |
| WO-2005099688-A2 | CYCLIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-10-27 | — | — | WO | disclosed |