Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | FAP | Q12884 | 3/20 | 0.31 |
| ▸ | PREP | P48147 | 2/20 | 0.31 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | PSEN1 | P49768 | 3/20 | 0.30 |
| ▸ | PSEN2 | P49810 | 3/20 | 0.30 |
| ▸ | APH1B | Q8WW43 | 3/20 | 0.30 |
| ▸ | NCSTN | Q92542 | 3/20 | 0.30 |
| ▸ | APH1A | Q96BI3 | 3/20 | 0.30 |
| ▸ | PSENEN | Q9NZ42 | 3/20 | 0.30 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.30 |
| ▸ | MTNR1B | P49286 | 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 | |
|---|---|---|---|---|
| SCHEMBL4630786 | 0.95 | CA1 (0.36) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL14076271 | 0.75 | CA1 (0.40) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL4630168 | 0.74 | SMN1; SMN2 (0.40) | ALDH1A1MTNR1AMTNR1B | |
| SCHEMBL8540220 | 0.73 | DPP4 (0.41) | KDM4EFAPDPP4 | |
| SCHEMBL4630452 | 0.73 | CTSK (0.48) | CA1CA2EPHX1 | |
| SCHEMBL8540218 | 0.73 | DPP4 (0.41) | KDM4EFAPDPP4 | |
| SCHEMBL6355919 | 0.72 | CA1 (0.38) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL6039382 | 0.71 | LMNA (0.34) | CA1CA2CA12CA9ALDH1A1 | |
| SCHEMBL3469200 | 0.71 | — | — | |
| SCHEMBL7451803 | 0.70 | LMNA (0.36) | DPP4 |
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-1919907-A2 | HETEROCYCLIC COMPOUND | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007026959-A2 | DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2007-03-08 | — | — | WO | disclosed |