Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.50 |
| ▸ | NPC1 | O15118 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | METAP2 | P50579 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL1520900 | 0.84 | MPO (0.54) | SMN1; SMN2RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL6639259 | 0.83 | NPC1 (0.48) | CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL6635771 | 0.82 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL490191 | 0.81 | KMT2A (0.47) | SMN1; SMN2RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL8134849 | 0.81 | CYP1A2 (0.55) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL27787219 | 0.81 | RAB9A (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL489860 | 0.80 | RAB9A (0.78) | CYP1A2CYP2C9CYP2C19SMN1; SMN2RAB9A | |
| SCHEMBL490086 | 0.79 | MPO (0.48) | SMN1; SMN2RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL490008 | 0.79 | NPC1 (0.48) | SMN1; SMN2RAB9ANPC1KMT2AMEN1 | |
| SCHEMBL6637758 | 0.78 | RAB9A (0.79) | SMN1; SMN2RAB9ANPC1KMT2AMEN1 |
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-1449835-A2 | Alpha-substituted pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2004-08-25 | — | — | EP | disclosed |
| EP-1247804-A1 | Pyrimidine-thioalkyl and alkylether compounds | PHARMACIA & UPJOHN COMPANY (US) | 2002-10-09 | — | — | EP | disclosed |