Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL19127634 | 0.83 | MPO (0.51) | KDM4EALDH1A1MAPTKMT2AGLA | |
| SCHEMBL30940171 | 0.83 | MPO (0.51) | KDM4EALDH1A1MAPTKMT2AGLA | |
| SCHEMBL5364953 | 0.82 | DRD2 (0.31) | DRD2 | |
| SCHEMBL5847372 | 0.82 | MPO (0.44) | ALDH1A1MAOADRD2MPOABHD6 | |
| SCHEMBL29756733 | 0.82 | MPO (0.44) | ALDH1A1MAOADRD2MPOABHD6 | |
| SCHEMBL19616624 | 0.78 | METAP1 (0.37) | MAPTKMT2AMEN1DRD2 | |
| SCHEMBL18845471 | 0.78 | METAP1 (0.37) | MAPTKMT2AMEN1DRD2MPO | |
| SCHEMBL2303778 | 0.77 | MEN1 (0.41) | KDM4EALDH1A1GAAMAPTMAOA | |
| SCHEMBL4809246 | 0.77 | MEN1 (0.41) | KDM4EALDH1A1GAAMAPTMAOA | |
| SCHEMBL5379087 | 0.77 | KDM4C (0.39) | DRD2 |
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-1214303-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | Merck & Co., Inc. (US) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001016121-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE THEREOF | MERCK & CO., INC. (US) | 2001-03-08 | — | — | WO | disclosed |