Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 4/20 | 0.52 |
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.46 |
| ▸ | ANPEP | P15144 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | SIRT1 | Q96EB6 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10699832 | 0.91 | KMT2A (0.65) | KMT2AMEN1ALDH1A1KDM4EANPEP | |
| SCHEMBL4306010 | 0.84 | MEN1 (0.52) | KMT2AMEN1NPSR1ALDH1A1PKM | |
| SCHEMBL10909813 | 0.82 | HEXA (0.60) | KMT2AMEN1ALDH1A1KDM4EANPEP | |
| SCHEMBL135305 | 0.81 | CA12 (0.66) | KMT2AMEN1NPSR1ALDH1A1PKM | |
| SCHEMBL30098360 | 0.81 | CA12 (0.66) | KMT2AMEN1NPSR1ALDH1A1PKM | |
| SCHEMBL31540930 | 0.81 | ANPEP (0.55) | KMT2AMEN1ALDH1A1KDM4EANPEP | |
| SCHEMBL7828291 | 0.80 | ANPEP (0.43) | KMT2AMEN1ALDH1A1ANPEPDPP4 | |
| SCHEMBL7991341 | 0.79 | ALDH1A1 (0.51) | KMT2AMEN1ALDH1A1KDM4EANPEP | |
| SCHEMBL410421 | 0.79 | HPGD (0.44) | KMT2AMEN1ALDH1A1PKMANPEP | |
| SCHEMBL4235928 | 0.79 | ALDH1A1 (0.60) | KMT2AMEN1ALDH1A1CA12CA9 |
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-2012058133-A1 | ISOINDOLINONE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-05-03 | — | — | WO | disclosed |
| WO-2010138585-A1 | PYRIMIDINONES AS PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2010-12-02 | — | — | WO | disclosed |