Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.48 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.48 |
| ▸ | POLB | P06746 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28653181 | 0.83 | NPC1 (0.48) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL28637114 | 0.82 | NPSR1 (0.46) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL28651312 | 0.80 | POLB (0.45) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL31026228 | 0.74 | RIPK1 (0.61) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL20236266 | 0.73 | CYP2C9 (0.65) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL9984763 | 0.71 | DPP4 (0.33) | — | |
| SCHEMBL11145541 | 0.68 | NPC1 (0.54) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL29155610 | 0.68 | HPGD (0.60) | NPC1RAB9ASMN1; SMN2POLBKDM4E | |
| SCHEMBL2897923 | 0.67 | KDM4E (0.77) | SMN1; SMN2POLBKDM4ECYP2C9CYP2C19 | |
| SCHEMBL10729724 | 0.67 | KDM4E (0.77) | SMN1; SMN2POLBKDM4ECYP2C9CYP2C19 |
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-113651799-B | Six-membered non-aromatic ring-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2022-06-17 | — | — | CN | disclosed |
| CN-113651799-A | Six-membered non-aromatic ring-containing diaryl pyrimidine HIV-1 reverse transcriptase inhibitor and preparation method and application thereof | 山东大学 | 2021-11-16 | — | — | CN | disclosed |