Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.59 |
| ▸ | RAB9A | P51151 | 6/20 | 0.59 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.54 |
| ▸ | MEN1 | O00255 | 4/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | MAPT | P10636 | 4/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | PKM | P14618 | 2/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.50 |
| ▸ | LMNA | P02545 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL2664519 | 0.85 | SMN1; SMN2 (0.67) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL14096367 | 0.80 | ALDH1A1 (0.70) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL14096368 | 0.76 | MIF (0.62) | NPC1RAB9AEPHX1KMT2AMEN1 | |
| SCHEMBL18550707 | 0.74 | NPC1 (0.74) | NPC1RAB9AKMT2AMEN1ALDH1A1 | |
| SCHEMBL14096340 | 0.73 | NPC1 (0.73) | NPC1RAB9AEPHX1KMT2AMEN1 | |
| N-(Phenylcarbamothioyl)Benzamide SCHEMBL2341910 | 0.72 | EPHX1 (1.00) | NPC1RAB9AEPHX1KMT2AMEN1 | |
| SCHEMBL6118209 | 0.72 | EPHX1 (0.78) | NPC1RAB9AEPHX1KMT2AMEN1 | |
| SCHEMBL18550671 | 0.71 | NPC1 (1.00) | NPC1RAB9AEPHX1KMT2AMEN1 | |
| SCHEMBL18550695 | 0.71 | ALDH1A1 (0.56) | NPC1RAB9AEPHX1KMT2AMEN1 | |
| SCHEMBL28799002 | 0.71 | SMN1; SMN2 (0.72) | NPC1RAB9AKMT2AMEN1ALDH1A1 |
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-114671892-A | 7-aminocephalosporanic acid-containing 1,3, 4-thiadiazole derivative, and preparation method and application thereof | 江苏海洋大学 | 2022-06-28 | — | — | CN | disclosed |