Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.42 |
| ▸ | PRKD3 | O94806 | 4/20 | 0.42 |
| ▸ | PRKCG | P05129 | 4/20 | 0.42 |
| ▸ | PRKCB | P05771 | 4/20 | 0.42 |
| ▸ | PRKCA | P17252 | 4/20 | 0.42 |
| ▸ | PRKCH | P24723 | 4/20 | 0.42 |
| ▸ | PRKCI | P41743 | 4/20 | 0.42 |
| ▸ | PRKCE | Q02156 | 4/20 | 0.42 |
| ▸ | PRKCQ | Q04759 | 4/20 | 0.42 |
| ▸ | PRKCZ | Q05513 | 4/20 | 0.42 |
| ▸ | PRKCD | Q05655 | 4/20 | 0.42 |
| ▸ | PRKD1 | Q15139 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | PRKACA | P17612 | 3/20 | 0.42 |
| ▸ | PRKACG | P22612 | 3/20 | 0.42 |
| ▸ | PRKACB | P22694 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL3129943 | 1.00 | TNF (0.46) | TNFCYP3A4PRKD3PRKCGPRKCB | |
| SCHEMBL29546384 | 0.86 | CYP3A4 (0.56) | CYP3A4PRKD3PRKCGPRKCBPRKCA | |
| SCHEMBL115053 | 0.86 | CYP3A4 (0.56) | CYP3A4PRKD3PRKCGPRKCBPRKCA | |
| Hydrochloric Acid SCHEMBL987360 | 0.84 | LMNA (0.57) | CYP3A4PRKD3PRKCGPRKCBPRKCA | |
| Hydrochloric Acid SCHEMBL29469852 | 0.84 | LMNA (0.57) | CYP3A4PRKD3PRKCGPRKCBPRKCA | |
| SCHEMBL11983469 | 0.82 | TNF (0.46) | TNFCYP3A4PRKD3PRKCGPRKCB | |
| SCHEMBL18019196 | 0.82 | CA2 (0.61) | TNFCYP3A4PRKD3PRKCGPRKCB | |
| SCHEMBL26422606 | 0.82 | TNF (0.46) | TNFCYP3A4PRKD3PRKCGPRKCB | |
| Hydrochloric Acid SCHEMBL27788261 | 0.81 | TNF (0.45) | TNFCYP3A4PRKD3PRKCGPRKCB | |
| SCHEMBL28397978 | 0.78 | TNF (0.42) | TNFCYP3A4PRKD3PRKCGPRKCB |
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-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |