Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | PKM | P14618 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | KIF11 | P52732 | 1/20 | 0.44 |
| ▸ | DUT | P33316 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | TK2 | O00142 | 3/20 | 0.37 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | TK1 | P04183 | 1/20 | 0.35 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.35 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.35 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28645526 | 1.00 | CYP1A2 (0.50) | CYP1A2LMNASMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL3485608 | 0.85 | KIF11 (0.50) | KDM4EKIF11DUTCYP2C9ALOX15 | |
| SCHEMBL28645211 | 0.82 | CYP1A2 (0.40) | CYP1A2LMNASMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL28645212 | 0.82 | CYP1A2 (0.40) | CYP1A2LMNASMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL28630691 | 0.81 | ADRB2 (0.41) | CYP1A2LMNASMN1; SMN2KDM4EKIF11 | |
| SCHEMBL22091965 | 0.78 | KIF11 (0.41) | CYP1A2SMN1; SMN2KIF11DUTCYP2C9 | |
| SCHEMBL22091964 | 0.78 | KIF11 (0.41) | CYP1A2SMN1; SMN2KIF11DUTCYP2C9 | |
| SCHEMBL29142564 | 0.78 | CYP1A2 (0.53) | CYP1A2LMNASMN1; SMN2KDM4ECYP2D6 | |
| SCHEMBL20829174 | 0.77 | CA1 (0.41) | CYP1A2LMNACYP2D6KIF11DUT | |
| SCHEMBL10553963 | 0.75 | USP2 (0.48) | CYP1A2LMNASMN1; SMN2KDM4EKIF11 |
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-113454058-A | Amino acid having functional group capable of forming intramolecular hydrogen bond, peptide compound comprising the same, and method for producing the same | 中外制药株式会社 | 2021-09-28 | — | — | CN | disclosed |