Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 4/20 | 0.53 |
| ▸ | NPC1 | O15118 | 3/20 | 0.53 |
| ▸ | FLT1 | P17948 | 1/20 | 0.48 |
| ▸ | FLT4 | P35916 | 1/20 | 0.48 |
| ▸ | KDR | P35968 | 1/20 | 0.48 |
| ▸ | GPR27 | Q9NS67 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | UBE2N | P61088 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.40 |
| ▸ | DHODH | Q02127 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL27007635 | 0.90 | NPC1 (0.62) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL27007664 | 0.83 | NPC1 (0.73) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL4516098 | 0.81 | HTT (0.54) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL4483750 | 0.80 | RAB9A (0.52) | RAB9ANPC1GPR27ALDH1A1SMN1; SMN2 | |
| SCHEMBL1697081 | 0.78 | FLT1 (0.54) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL789345 | 0.76 | ALDH1A1 (0.55) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL789101 | 0.76 | NPC1 (0.51) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL24670118 | 0.73 | MAPT (0.65) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL29803701 | 0.73 | MAPT (0.65) | RAB9ANPC1FLT1FLT4KDR | |
| SCHEMBL3340974 | 0.73 | FLT1 (0.50) | RAB9ANPC1FLT1FLT4KDR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009094205-A2 | 3-ARYL-6-ARYL-7H-[1,2,4]TRIAZOLO[3,4-B][1,3,4]THIADIAZINES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF | CYTOVIA, INC. (US) | 2009-07-30 | — | — | WO | disclosed |