Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | PARP1 | P09874 | 2/20 | 0.41 |
| ▸ | C1S | P09871 | 1/20 | 0.41 |
| ▸ | MTOR | P42345 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL17134067 | 0.89 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19CYP1A2 | |
| SCHEMBL5804634 | 0.89 | CES2 (0.52) | CTSLSMN1; SMN2NPC1RAB9ACES2 | |
| SCHEMBL8321303 | 0.89 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19CYP1A2 | |
| SCHEMBL5804631 | 0.89 | CES2 (0.52) | CTSLSMN1; SMN2NPC1RAB9ACES2 | |
| SCHEMBL7109724 | 0.89 | NPC1 (0.54) | SMN1; SMN2NPC1RAB9ACYP2C19CYP1A2 | |
| SCHEMBL9353591 | 0.75 | CES2 (0.59) | CTSLCES2CES1HDAC1HDAC6 | |
| SCHEMBL27455648 | 0.73 | CTSL (0.50) | CTSLSMN1; SMN2NPC1RAB9ACES2 | |
| SCHEMBL18620052 | 0.73 | PARP1 (0.52) | CTSLSMN1; SMN2CES2CES1CYP2C19 | |
| SCHEMBL3725357 | 0.73 | NPC1 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19CYP1A2 | |
| SCHEMBL28127816 | 0.73 | NPC1 (0.53) | SMN1; SMN2NPC1RAB9ACYP2C19CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-112574135-A | 4-aryl-5-thioether-2-difluoromethyl oxazole, and derivatives and synthesis method thereof | 湖南工程学院 | 2021-03-30 | — | — | CN | disclosed |