Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CNR2 | P34972 | 2/20 | 0.43 |
| ▸ | TNF | P01375 | 3/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 8/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | GLA | P06280 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | CA7 | P43166 | 1/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23852583 | 0.89 | TNF (0.54) | CNR2TNFEPHX2 | |
| SCHEMBL23850165 | 0.89 | MEN1 (0.49) | CNR2TNFEPHX2TSHRMEN1 | |
| SCHEMBL29225350 | 0.87 | EPHX2 (0.44) | CNR2EPHX2TSHRCA12CA1 | |
| SCHEMBL23852674 | 0.84 | TNF (0.50) | CNR2TNFEPHX2 | |
| SCHEMBL23850522 | 0.84 | MEN1 (0.45) | CNR2TNFEPHX2TSHRMEN1 | |
| SCHEMBL3024871 | 0.84 | EPHX2 (0.42) | CNR2TNFEPHX2TSHRCA12 | |
| SCHEMBL30829444 | 0.83 | TSHR (0.46) | EPHX2TSHRCA12CA1CA2 | |
| SCHEMBL29225365 | 0.83 | TSHR (0.46) | EPHX2TSHRCA12CA1CA2 | |
| SCHEMBL3016395 | 0.81 | EPHX2 (0.44) | EPHX2TSHRCA12CA1CA2 | |
| SCHEMBL13541632 | 0.80 | TSHR (0.48) | EPHX2TSHRCA12CA1CA2 |
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-111433207-B | As alpha V Pyrrolopyrazine derivatives of integrin inhibitors | 百时美施贵宝公司 | 2023-07-25 | — | — | CN | disclosed |
| CN-110139864-B | Pyrrole amides as alpha V integrin inhibitors | 百时美施贵宝公司 | 2022-08-23 | — | — | CN | disclosed |