Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.32 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.31 |
| ▸ | ITGB1 | P05556 | 1/20 | 0.31 |
| ▸ | ITGA4 | P13612 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.30 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.30 |
| ▸ | MEN1 | O00255 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL4050961 | 0.93 | CTSK (0.36) | HPGDKDM4ECHRNA7SMN1; SMN2ALDH1A1 | |
| SCHEMBL4046844 | 0.90 | HPGD (0.32) | HPGDKDM4ECHRNA7SMN1; SMN2ALDH1A1 | |
| SCHEMBL6209902 | 0.90 | CHRNA7 (0.40) | KDM4ECHRNA7 | |
| SCHEMBL4042524 | 0.89 | CHRNA7 (0.37) | HPGDKDM4ECHRNA7ALDH1A1HSD17B10 | |
| SCHEMBL4051242 | 0.89 | CTSK (0.33) | — | |
| SCHEMBL4043383 | 0.87 | TAS1R3 (0.35) | ALDH1A1 | |
| SCHEMBL4048801 | 0.86 | CTSK (0.39) | HPGDKDM4EALDH1A1RAB9ANPC1 | |
| SCHEMBL4046811 | 0.84 | CTSK (0.33) | KDM4EALDH1A1HSD17B10KMT2APOLB | |
| SCHEMBL4045249 | 0.83 | CTSK (0.36) | HPGD | |
| SCHEMBL4047709 | 0.83 | ALDH1A1 (0.34) | HPGDKDM4ECHRNA7SMN1; SMN2ALDH1A1 |
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-1546150-B1 | PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES | AMURA THERAPEUTICS LTD (GB) | 2009-03-04 | — | — | EP | claimed |