Predicted protein targets (top 16)
| 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 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.44 |
| ▸ | HPGD | P15428 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | ALPL | P05186 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6644471 | 0.84 | KMT2A (0.43) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL6637576 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL6637294 | 0.83 | CYP1A2 (0.56) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL6638600 | 0.83 | RAB9A (0.44) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL1520900 | 0.82 | MPO (0.54) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL490191 | 0.82 | KMT2A (0.47) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL8140679 | 0.81 | RAB9A (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL6642311 | 0.80 | ALDH1A1 (0.46) | NPC1RAB9ASMN1; SMN2CYP1A2CYP2C19 | |
| SCHEMBL490086 | 0.80 | MPO (0.48) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 | |
| SCHEMBL490008 | 0.80 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2KMT2AMEN1 |
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 |