Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 1/20 | 0.52 |
| ▸ | CES2 | O00748 | 2/20 | 0.50 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | FURIN | P09958 | 1/20 | 0.46 |
| ▸ | CTSL | P07711 | 2/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MTOR | P42345 | 1/20 | 0.41 |
| ▸ | CTSB | P07858 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL18620052 | 1.00 | PARP1 (0.52) | PARP1CES2CES1FURINCTSL | |
| SCHEMBL5804634 | 0.82 | CES2 (0.52) | PARP1CES2CES1FURINCTSL | |
| SCHEMBL5804631 | 0.82 | CES2 (0.52) | PARP1CES2CES1FURINCTSL | |
| SCHEMBL23436584 | 0.78 | PARP1 (0.53) | PARP1FURINHDAC6MAPTMEN1 | |
| SCHEMBL16710523 | 0.78 | KDM4E (0.56) | PARP1FURINMAPTALDH1A1LMNA | |
| SCHEMBL14627751 | 0.78 | PARP1 (0.53) | PARP1FURINHDAC6MAPTMEN1 | |
| SCHEMBL4157209 | 0.78 | MEN1 (0.57) | FURINMAPTMEN1KMT2AALDH1A1 | |
| SCHEMBL14243296 | 0.77 | CES2 (0.47) | PARP1CES2CES1FURINCTSL | |
| SCHEMBL8761571 | 0.76 | CES2 (0.60) | PARP1CES2CES1CTSLPTGS1 | |
| SCHEMBL3725357 | 0.76 | NPC1 (0.53) | PARP1FURINALDH1A1MTORCYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-106543175-B | Triaryl [1,2,4] triazole [1,5-a] pyridine derivate and preparation method thereof | 上海大学 | 2018-06-01 | — | — | CN | disclosed |
| CN-106543175-A | Triaryl [1,2,4] triazole [1,5 a] pyridine derivate and preparation method thereof | 上海大学 | 2017-03-29 | — | — | CN | disclosed |