Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 2/20 | 0.49 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | HASPIN | Q8TF76 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | NPY1R | P25929 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | NPY2R | P49146 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1071957 | 1.00 | TNF (0.49) | TNFCCNT1CDK9HASPINCYP1A2 | |
| SCHEMBL29935732 | 0.85 | CYP2D6 (0.53) | CCNT1CDK9HASPINCYP1A2CYP2D6 | |
| SCHEMBL844312 | 0.85 | CYP2D6 (0.53) | CCNT1CDK9HASPINCYP1A2CYP2D6 | |
| SCHEMBL8144858 | 0.81 | TNF (0.49) | TNFCYP1A2CYP2D6HTTALDH1A1 | |
| SCHEMBL8144855 | 0.81 | TNF (0.49) | TNFCYP1A2CYP2D6HTTALDH1A1 | |
| SCHEMBL2011044 | 0.78 | CCNT1 (0.49) | TNFCCNT1CDK9HASPINCYP1A2 | |
| SCHEMBL15870940 | 0.78 | TNF (0.50) | TNFCYP1A2CYP2D6HTTALDH1A1 | |
| SCHEMBL3107253 | 0.77 | MEN1 (0.55) | ALDH1A1LMNACYP2A6MEN1THRB | |
| SCHEMBL2010981 | 0.76 | MEN1 (0.42) | CYP1A2CYP2D6HTTALDH1A1HPGD | |
| Pyridine SCHEMBL28166520 | 0.76 | CYP1A2 (0.50) | CYP1A2CYP2D6HTTALDH1A1CYP1A1 |
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 |
| US-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |