Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.47 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.44 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.42 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
| ▸ | PTGER3 | P43115 | 1/20 | 0.38 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | HNF4A | P41235 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9307991 | 0.85 | HSPA5 (0.67) | ALDH1A1HPGDBCL2L1HSD17B10HSPA5 | |
| SCHEMBL29610362 | 0.84 | HSPA5 (0.54) | ALDH1A1HPGDBCL2L1HSD17B10HSPA5 | |
| SCHEMBL4063843 | 0.81 | HSPA5 (0.73) | HSD17B10HSPA5CYP1A2AKR1B1 | |
| SCHEMBL31387875 | 0.80 | DPP4 (0.65) | ALDH1A1HPGDBCL2L1HSD17B10HSPA5 | |
| SCHEMBL2841431 | 0.80 | DPP4 (0.65) | ALDH1A1HPGDBCL2L1HSD17B10HSPA5 | |
| SCHEMBL11206474 | 0.79 | HSD17B10 (0.60) | ALDH1A1HPGDBCL2L1HSD17B10HSPA5 | |
| SCHEMBL11213120 | 0.77 | HSPA5 (0.54) | HPGDBCL2L1HSD17B10HSPA5KMT2A | |
| SCHEMBL28177209 | 0.76 | HSPA5 (0.59) | ALDH1A1HPGDBCL2L1HSD17B10HSPA5 | |
| SCHEMBL4064773 | 0.76 | HSPA5 (0.64) | HSPA5CYP1A2AKR1B1 | |
| SCHEMBL9182910 | 0.75 | DPP4 (0.46) | DPP4PDCD1CD274KMT2AFOLH1 |
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-118215651-A | Method for producing isocyanate compound, method for producing urethane compound, method for recovering amine compound, and isocyanate composition | 旭化成株式会社 | 2024-06-18 | — | — | CN | disclosed |