Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A12 | P48065 | 4/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 4/20 | 0.36 |
| ▸ | SLC6A13 | Q9NSD5 | 4/20 | 0.36 |
| ▸ | AKR1C4 | P17516 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.31 |
| ▸ | SLC6A1 | P30531 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL13849730 | 0.80 | AKR1C4 (0.39) | SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3 | |
| SCHEMBL4099629 | 0.80 | AKR1C4 (0.39) | SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3 | |
| SCHEMBL4103087 | 0.80 | AKR1C4 (0.39) | SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3 | |
| SCHEMBL5506416 | 0.77 | AKR1C4 (0.37) | SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3 | |
| SCHEMBL13849728 | 0.66 | ALDH1A1 (0.40) | SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3 | |
| SCHEMBL9278180 | 0.65 | SLC6A12 (0.57) | SLC6A12SLC6A11SLC6A13AKR1C4AKR1C3 | |
| SCHEMBL5000853 | 0.64 | CHRM2 (0.35) | TDP1 | |
| SCHEMBL16321478 | 0.63 | TP53 (0.38) | ALDH1A1POLBMAPTTDP1 | |
| SCHEMBL11472819 | 0.62 | BLM (0.61) | — | |
| SCHEMBL25497628 | 0.62 | SLC6A12 (0.35) | SLC6A12SLC6A11SLC6A13 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1856044-A2 | PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS | AstraZeneca AB (SE) | 2007-11-21 | — | — | EP | disclosed |
| WO-2006087548-A2 | PYRROLE DERIVATIVES AS DNA GYRASE AND TOPOISOMERASE INHIBITORS | ASTRAZENECA AB (SE) | 2006-08-24 | — | — | WO | disclosed |