Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.62 |
| ▸ | RAB9A | P51151 | 9/20 | 0.62 |
| ▸ | GAA | P10253 | 2/20 | 0.62 |
| ▸ | KDM4E | B2RXH2 | 10/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 9/20 | 0.57 |
| ▸ | HPGD | P15428 | 8/20 | 0.57 |
| ▸ | MAPT | P10636 | 6/20 | 0.57 |
| ▸ | GFER | P55789 | 2/20 | 0.57 |
| ▸ | GLA | P06280 | 1/20 | 0.57 |
| ▸ | HTT | P42858 | 1/20 | 0.57 |
| ▸ | RCE1 | Q9Y256 | 1/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 7/20 | 0.53 |
| ▸ | TP53 | P04637 | 6/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL694906 | 0.86 | NPC1 (0.62) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL316190 | 0.85 | ALDH1A1 (0.60) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL29002247 | 0.85 | ALDH1A1 (0.63) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL695531 | 0.83 | ALDH1A1 (0.59) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL700482 | 0.82 | GAA (0.51) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL2104393 | 0.79 | NPC1 (0.72) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL979689 | 0.78 | NPC1 (0.66) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL5542508 | 0.78 | ALDH1A1 (0.37) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL6618253 | 0.78 | DGAT1 (0.59) | NPC1RAB9AGAAKDM4EALDH1A1 | |
| SCHEMBL105095 | 0.77 | NPC1 (1.00) | NPC1RAB9AGAAKDM4EALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7115617-B2 | Amino-substituted pyrimidinyl derivatives and methods of use | AMGEN INC. (US) | 2006-10-03 | — | — | US | disclosed |
| US-6939874-B2 | Substituted pyrimidinyl derivatives and methods of use | AMGEN INC. (US) | 2005-09-06 | — | — | US | disclosed |
| EP-1427421-A1 | 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS | Amgen Inc. (US) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003018021-A1 | 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS | AMGEN INC. (US) | 2003-03-06 | — | — | WO | disclosed |