Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.45 |
| ▸ | RAB9A | P51151 | 3/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.45 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 2/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL3982745 | 0.85 | ALDH1A1 (0.47) | NPC1RAB9ATDP1LMNAALDH1A1 | |
| SCHEMBL14192246 | 0.79 | CYP3A4 (0.64) | NPC1RAB9ATDP1HPGDSMN1; SMN2 | |
| SCHEMBL13712586 | 0.78 | ALDH1A1 (0.39) | TDP1POLBMAOBTSHRACHE | |
| SCHEMBL17147181 | 0.77 | PTGS1 (0.43) | NPC1RAB9ATDP1HPGDPOLB | |
| SCHEMBL7412470 | 0.77 | ACHE (0.62) | NPC1RAB9ATDP1HPGDNFKB1 | |
| SCHEMBL22079642 | 0.77 | ACHE (0.62) | NPC1RAB9ATDP1HPGDNFKB1 | |
| SCHEMBL587 | 0.77 | ACHE (0.62) | NPC1RAB9ATDP1HPGDNFKB1 | |
| Tannin Pyrogallol SCHEMBL1419994 | 0.77 | ACHE (0.62) | NPC1RAB9ATDP1HPGDNFKB1 | |
| SCHEMBL13079088 | 0.76 | ACHE (0.35) | NPC1RAB9ATDP1HPGDNFKB1 | |
| SCHEMBL14037357 | 0.76 | ALDH1A1 (0.39) | TDP1HPGDSMN1; SMN2MAOBACHE |
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-115006346-B | Method for stabilizing therapeutic agent for mental disease and composition containing amitriptyline | 湖南洞庭药业股份有限公司 | 2023-11-21 | — | — | CN | disclosed |
| US-10538666-B2 | Compound, polymer, film, and optical device | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2020-01-21 | — | — | US | disclosed |