Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIM1 | P11309 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 3/20 | 0.49 |
| ▸ | CA2 | P00918 | 3/20 | 0.49 |
| ▸ | CASP3 | P42574 | 2/20 | 0.49 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | METTL16 | Q86W50 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.46 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.46 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.46 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.46 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.46 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.46 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.44 |
| ▸ | CUL4A | Q13619 | 1/20 | 0.44 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.44 |
| ▸ | PLK4 | O00444 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 2/20 | 0.43 |
| ▸ | ACHE | P22303 | 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 | |
|---|---|---|---|---|
| SCHEMBL13058807 | 0.85 | PIM1 (0.47) | PIM1CA1CA2CASP3CUL4A | |
| SCHEMBL3005504 | 0.85 | CASP3 (0.62) | PIM1CA1CA2CASP3CA4 | |
| SCHEMBL30704873 | 0.85 | CASP3 (0.62) | PIM1CA1CA2CASP3CA4 | |
| SCHEMBL30639332 | 0.82 | PIM1 (0.46) | PIM1CA1CA2CA4CA9 | |
| Hydrochloric Acid SCHEMBL31053342 | 0.79 | PIM1 (0.49) | PIM1CA1CA2GABRA1GABRG2 | |
| Hydrochloric Acid SCHEMBL31053364 | 0.79 | PIM1 (0.49) | PIM1CA1CA2GABRA1GABRG2 | |
| SCHEMBL6324792 | 0.78 | CA1 (0.56) | PIM1CA1CA2CASP3CA4 | |
| SCHEMBL6324797 | 0.78 | CA1 (0.56) | PIM1CA1CA2CASP3CA4 | |
| SCHEMBL28584419 | 0.78 | PIM1 (0.45) | PIM1CA1CA2CASP3CA4 | |
| Hydrochloric Acid SCHEMBL31053312 | 0.77 | DRD2 (0.62) | PIM1GABRA1GABRG2GABRB3GABRA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2205657-B1 | KETOPYRROLES AS ORGANIC SEMICONDUCTORS | BASF SE (DE) | 2017-04-05 | — | — | EP | disclosed |