Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 3/20 | 0.36 |
| ▸ | CA1 | P00915 | 3/20 | 0.36 |
| ▸ | CA2 | P00918 | 3/20 | 0.36 |
| ▸ | CA7 | P43166 | 3/20 | 0.36 |
| ▸ | CA9 | Q16790 | 3/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL6885396 | 0.85 | MAPT (0.38) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL10707078 | 0.70 | SMN1; SMN2 (0.39) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL4773450 | 0.70 | CYP1A2 (0.39) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL22249801 | 0.69 | MAPT (0.38) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL6616099 | 0.68 | MAPT (0.40) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL9626490 | 0.67 | ALDH1A1 (0.49) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL17842993 | 0.67 | CYP1A2 (0.39) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL10243639 | 0.66 | ALDH1A1 (0.38) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL5057759 | 0.64 | MEN1 (0.42) | MAPTCYP1A2GAATSHRALDH1A1 | |
| SCHEMBL29150933 | 0.64 | — | — |
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-2726479-A1 | NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | AbbVie Deutschland GmbH & Co KG (DE) | 2014-05-07 | — | — | EP | disclosed |
| WO-2013000994-A1 | NOVEL INHIBITOR COMPOUNDS OF PHOSPHODIESTERASE TYPE 10A | ABBOTT GMBH & CO. KG (DE) | 2013-01-03 | — | — | WO | disclosed |
| EP-1309565-A1 | HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM PLC (GB) | 2003-05-14 | — | — | EP | disclosed |
| WO-2002012199-A1 | HETEROCYCLIC MUTILIN ESTERS AND THEIR USE AS ANTIBACTERIALS | SMITHKLINE BEECHAM P.L.C. (GB) | 2002-02-14 | — | — | WO | disclosed |