Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.82 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.64 |
| ▸ | TSHR | P16473 | 5/20 | 0.60 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.60 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.59 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.59 |
| ▸ | LMNA | P02545 | 4/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.57 |
| ▸ | NPC1 | O15118 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | RAB9A | P51151 | 1/20 | 0.57 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
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 | |
|---|---|---|---|---|
| SCHEMBL31126834 | 0.88 | KDM4E (0.68) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL2860044 | 0.88 | KDM4E (0.68) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL2320061 | 0.86 | SMN1; SMN2 (0.77) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL6024696 | 0.84 | SMN1; SMN2 (0.75) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL10877436 | 0.84 | SMN1; SMN2 (0.59) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL7627192 | 0.83 | TSHR (0.69) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL28039686 | 0.83 | TSHR (0.69) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL13506223 | 0.82 | SMN1; SMN2 (0.68) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1L3MBTL1 | |
| SCHEMBL10916752 | 0.82 | SMN1; SMN2 (0.76) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR | |
| SCHEMBL888276 | 0.82 | TSHR (0.89) | SMN1; SMN2CYP1A2CYP2C19ALDH1A1TSHR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010009139-A2 | IMIDAZOLYL PYRIMIDINE INHIBITOR COMPOUNDS | GILEAD COLORADO, INC. (US) | 2010-01-21 | — | — | WO | disclosed |