Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 15/20 | 0.68 |
| ▸ | RAB9A | P51151 | 15/20 | 0.68 |
| ▸ | PKM | P14618 | 11/20 | 0.68 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.68 |
| ▸ | CDK5R1 | Q15078 | 4/20 | 0.68 |
| ▸ | MITF | O75030 | 2/20 | 0.68 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.65 |
| ▸ | PAX8 | Q06710 | 3/20 | 0.65 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.65 |
| ▸ | TP53 | P04637 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 1/20 | 0.61 |
| ▸ | TNF | P01375 | 2/20 | 0.60 |
| ▸ | KLF5 | Q13887 | 2/20 | 0.60 |
| ▸ | NOD1 | Q9Y239 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL215029 | 0.85 | ALDH1A1 (0.56) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL215009 | 0.85 | KDM4E (0.65) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL15504852 | 0.80 | NPC1 (0.68) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL15514845 | 0.80 | NPC1 (0.68) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL13171376 | 0.76 | NPC1 (1.00) | NPC1RAB9ASMN1; SMN2KMT2ATP53 | |
| SCHEMBL2931559 | 0.74 | LMNA (0.54) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL22872697 | 0.74 | LMNA (0.54) | NPC1RAB9APKMCDK5CDK5R1 | |
| Acetamide SCHEMBL28279496 | 0.74 | ALDH1A1 (0.67) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL10157708 | 0.74 | LMNA (0.54) | NPC1RAB9APKMCDK5CDK5R1 | |
| SCHEMBL4240844 | 0.74 | CES2 (0.64) | NPC1RAB9APKMCDK5CDK5R1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2003003009-A1 | USE OF METAL-ION CHELATES IN VALIDATING BIOLOGICAL MOLECULES AS DRUG TARGETS IN TEST ANIMAL MODELS | 7TM PHARMA A/S (DK) | 2003-01-09 | — | — | WO | disclosed |
| WO-2003003008-A1 | CHEMICAL LIBRARIES USEFUL FOR DRUG DISCOVERY PROCESSES | 7TM PHARMA A/S (DK) | 2003-01-09 | — | — | WO | disclosed |
| US-4680304-A | Feed compositions containing 2-(α-pyridyl)-Δ2 -heterocyclic compounds | SMITHKLINE BECKMAN CORPORATION (US) | 1987-07-14 | — | — | US | disclosed |