Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 8/20 | 0.59 |
| ▸ | RAB9A | P51151 | 8/20 | 0.59 |
| ▸ | MAPT | P10636 | 4/20 | 0.59 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.50 |
| ▸ | HPGD | P15428 | 2/20 | 0.50 |
| ▸ | METAP2 | P50579 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.50 |
| ▸ | STAT1 | P42224 | 1/20 | 0.50 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 3/20 | 0.48 |
| ▸ | RELA | Q04206 | 3/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29683802 | 1.00 | NPC1 (0.59) | NPC1RAB9AMAPTCYP19A1SMN1; SMN2 | |
| SCHEMBL30332746 | 0.75 | NPC1 (0.57) | NPC1RAB9AMAPTCYP19A1SMN1; SMN2 | |
| SCHEMBL5328162 | 0.75 | NPC1 (1.00) | NPC1RAB9AMAPTCYP19A1SMN1; SMN2 | |
| SCHEMBL12647915 | 0.73 | NPC1 (0.69) | NPC1RAB9AMAPTCYP19A1SMN1; SMN2 | |
| SCHEMBL5612793 | 0.73 | METAP2 (0.54) | NPC1RAB9AMAPTCYP19A1SMN1; SMN2 | |
| SCHEMBL6421864 | 0.73 | NPC1 (0.59) | NPC1RAB9AMAPTCYP19A1SMN1; SMN2 | |
| SCHEMBL103158 | 0.73 | MAOB (0.63) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL30036439 | 0.73 | MAOB (0.63) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 | |
| SCHEMBL1567560 | 0.72 | NPC1 (0.58) | NPC1RAB9AMAPTCYP19A1SMN1; SMN2 | |
| SCHEMBL8975785 | 0.71 | NPC1 (0.53) | NPC1RAB9AMAPTSMN1; SMN2ALDH1A1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114573485-B | Method for synthesizing alkynyl alkyl sulfide | 华南理工大学 | 2023-11-10 | — | — | CN | disclosed |
| CN-114573485-A | Method for synthesizing alkynyl alkyl thioether | 华南理工大学 | 2022-06-03 | — | — | CN | disclosed |
| CN-112778067-B | Method for synthesizing thioamide compound by catalyzing 1,2, 3-thiadiazole compound and amine with copper | 华南理工大学 | 2022-05-24 | — | — | CN | disclosed |
| CN-112778067-A | Method for synthesizing thioamide compound by using copper to catalyze 1,2, 3-thiodiazole compound and amine | 华南理工大学 | 2021-05-11 | — | — | CN | disclosed |