Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL62683 | 0.87 | TSHR (0.36) | NPC1RAB9ASMN1; SMN2KDM4EALDH1A1 | |
| SCHEMBL72658 | 0.79 | TSHR (0.34) | NPC1RAB9ASMN1; SMN2ALDH1A1TSHR | |
| SCHEMBL62209 | 0.75 | GBA1 (0.31) | KDM4ENPSR1PKM | |
| SCHEMBL3837047 | 0.74 | PTGER3 (0.33) | SMN1; SMN2ALDH1A1MAPTMEN1KMT2A | |
| SCHEMBL62176 | 0.74 | PTGER3 (0.31) | ALDH1A1TSHRMAPTLMNANPSR1 | |
| SCHEMBL3509664 | 0.73 | PTGER3 (0.32) | PTGER3 | |
| SCHEMBL62172 | 0.71 | MEN1 (0.34) | KDM4ETSHRCYP2C19LMNAMEN1 | |
| SCHEMBL61695 | 0.71 | PTGER3 (0.32) | PKMPTGER3 | |
| SCHEMBL62739 | 0.70 | GBA1 (0.37) | — | |
| SCHEMBL61175 | 0.70 | CYP11B2 (0.41) | SMN1; SMN2KDM4EALDH1A1TDP1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1745033-A4 | 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES | NEUROGEN CORP (US) | 2009-08-26 | — | — | EP | claimed |
| EP-1745033-A2 | 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES | NEUROGEN CORPORATION (US) | 2007-01-24 | — | — | EP | claimed |
| WO-2005110416-A2 | 4,5-DISUBSTITUTED-2-ARYL PYRIMIDINES | NEUROGEN CORPORATION (US) | 2005-11-24 | — | — | WO | claimed |