Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.61 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.49 |
| ▸ | AR | P10275 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3600729 | 0.87 | CA12 (0.65) | TDP1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL15971486 | 0.85 | TDP1 (0.59) | TDP1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL5202878 | 0.85 | TDP1 (0.64) | TDP1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL8579895 | 0.85 | TDP1 (0.59) | TDP1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL11544133 | 0.83 | ALDH1A1 (0.53) | TDP1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL4692681 | 0.83 | ALDH1A1 (0.60) | TDP1ALDH1A1L3MBTL1CA12CA1 | |
| SCHEMBL16042859 | 0.81 | TDP1 (0.49) | TDP1ALDH1A1L3MBTL1TSHRKMT2A | |
| SCHEMBL4947178 | 0.80 | SMN1; SMN2 (0.51) | ALDH1A1LMNAKMT2AMEN1NPC1 | |
| SCHEMBL598460 | 0.80 | CA9 (0.68) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL5702499 | 0.79 | TDP1 (0.43) | TDP1ALDH1A1L3MBTL1LMNAKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013050527-A1 | QUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITORS | H. LUNDBECK A/S (DK) | 2013-04-11 | — | — | WO | disclosed |
| EP-0485157-A2 | Esters and amides of substituted pyrrole acetic acids | FGN, INC. (US) | 1992-05-13 | — | — | EP | disclosed |