Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 5/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | ALPL | P05186 | 1/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6639259 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL6635771 | 0.83 | CYP3A4 (0.56) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL6354578 | 0.82 | MGAM (0.51) | NPC1RAB9ASMN1; SMN2CYP2C19HPGD | |
| SCHEMBL8140679 | 0.81 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL2899683 | 0.80 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL13402258 | 0.79 | RAB9A (0.43) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL13402259 | 0.78 | ALDH1A1 (0.56) | NPC1RAB9ASMN1; SMN2HPGDALDH1A1 | |
| SCHEMBL1520770 | 0.78 | RAB9A (0.78) | NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL13066752 | 0.77 | KMT2A (0.49) | NPC1RAB9ASMN1; SMN2CYP2C19ALDH1A1 | |
| SCHEMBL6643920 | 0.76 | RAB9A (0.56) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 |
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 |