Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL30648034 | 0.88 | MEN1 (0.49) | ALDH1A1TGFBR1NPC1RAB9ATP53 | |
| SCHEMBL20342557 | 0.76 | HDAC4 (0.48) | ALDH1A1KDM4EMAPTPOLBNPC1 | |
| SCHEMBL29663058 | 0.74 | ALDH1A1 (0.54) | ALDH1A1CYP3A4KDM4EMAPTTGFBR1 | |
| SCHEMBL902873 | 0.74 | NPC1 (0.52) | ALDH1A1CYP3A4KDM4EMAPTPOLB | |
| SCHEMBL29390450 | 0.74 | NPC1 (0.52) | ALDH1A1CYP3A4KDM4EMAPTPOLB | |
| SCHEMBL16334101 | 0.73 | ALDH1A1 (0.46) | ALDH1A1CYP3A4KDM4EMAPTLMNA | |
| SCHEMBL24165924 | 0.73 | BACE1 (0.42) | KDM4EMAPTNPC1RAB9A | |
| SCHEMBL24165902 | 0.73 | BACE1 (0.42) | KDM4EMAPTNPC1RAB9A | |
| SCHEMBL24165807 | 0.73 | BACE1 (0.42) | KDM4EMAPTNPC1RAB9A | |
| SCHEMBL24165808 | 0.73 | BACE1 (0.42) | KDM4EMAPTNPC1RAB9A |
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-2621276-B1 | 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME (US) | 2017-12-27 | — | — | EP | disclosed |
| WO-2012044561-A2 | 2-ALKOXY PYRIMIDINE PDE10 INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2012-04-05 | — | — | WO | disclosed |