Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 2/20 | 0.65 |
| ▸ | RAB9A | P51151 | 2/20 | 0.65 |
| ▸ | PAX8 | Q06710 | 2/20 | 0.65 |
| ▸ | JAK2 | O60674 | 1/20 | 0.65 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | NAAA | Q02083 | 4/20 | 0.55 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 1/20 | 0.49 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | GPX4 | P36969 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28755190 | 1.00 | NPC1 (0.65) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL28755242 | 1.00 | NPC1 (0.65) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL28661257 | 1.00 | NPC1 (0.65) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL28942086 | 1.00 | NPC1 (0.65) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL28666105 | 0.98 | NPC1 (0.62) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL5821101 | 0.94 | NPC1 (0.57) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL9475341 | 0.91 | HDAC6 (0.62) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL25277657 | 0.90 | NPC1 (0.62) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL25227336 | 0.88 | NPC1 (0.60) | NPC1RAB9APAX8JAK2HDAC1 | |
| SCHEMBL12582517 | 0.86 | LTB4R2 (0.65) | NPC1RAB9APAX8JAK2HDAC1 |
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-109843963-B | Isocyanate composition, method for producing isocyanate polymer, and isocyanate polymer | 旭化成株式会社 | 2022-05-13 | — | — | CN | disclosed |
| CN-107963982-B | Polyisocyanate composition and isocyanate polymer composition | 旭化成株式会社 | 2021-11-12 | — | — | CN | disclosed |