Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | HTR3A | P46098 | 1/20 | 0.36 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | GPR3 | P46089 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | FDPS | P14324 | 1/20 | 0.30 |
| ▸ | MAP3K5 | Q99683 | 1/20 | 0.30 |
| ▸ | PCSK9 | Q8NBP7 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL30527184 | 0.74 | CYP1A2 (0.60) | CYP1A2HTR3AHRH4KDM4EGPR3 | |
| SCHEMBL30198446 | 0.74 | CYP1A2 (0.60) | CYP1A2HTR3AHRH4KDM4EGPR3 | |
| SCHEMBL1672650 | 0.74 | CYP1A2 (0.60) | CYP1A2HTR3AHRH4KDM4EGPR3 | |
| SCHEMBL20352441 | 0.73 | RAB9A (0.45) | CYP1A2KDM4EMAPTNPC1LMNA | |
| SCHEMBL4130358 | 0.72 | TDP1 (0.50) | CYP1A2HTR3AKDM4ENPC1RAB9A | |
| SCHEMBL17212390 | 0.72 | METAP1 (0.48) | CYP1A2KDM4EMAPTLMNA | |
| SCHEMBL17212389 | 0.72 | SMAD3 (0.33) | KDM4EMAPTSMN1; SMN2ALDH1A1GLA | |
| SCHEMBL19450138 | 0.71 | L3MBTL1 (0.35) | MAPTNPC1LMNARECQLRAB9A | |
| SCHEMBL13911016 | 0.70 | CYP1A2 (0.56) | CYP1A2HTR3AHRH4KDM4EGPR3 | |
| SCHEMBL22665187 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020118933-A1 | NOVEL POLYCYCLIC COMPOUND | 优缔新材料科技(苏州)有限公司 | 2020-06-18 | — | — | WO | disclosed |