Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESRRA | P11474 | 4/20 | 0.45 |
| ▸ | ESR1 | P03372 | 5/20 | 0.43 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CA2 | P00918 | 1/20 | 0.42 |
| ▸ | CA7 | P43166 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.38 |
| ▸ | MGAM | O43451 | 2/20 | 0.38 |
| ▸ | SI | P14410 | 2/20 | 0.38 |
| ▸ | MGAM2 | Q2M2H8 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL5946174 | 0.82 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5768912 | 0.72 | ALDH2 (0.42) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14916063 | 0.71 | ESRRA (0.73) | ESRRAESR1ESR2CA12CA1 | |
| SCHEMBL31193411 | 0.71 | MEN1 (0.50) | MEN1KMT2AMAPTALDH1A1KDM4E | |
| SCHEMBL5946089 | 0.70 | MAPK8 (0.41) | GAAMGAMSIMGAM2NPC1 | |
| SCHEMBL5820726 | 0.70 | ESR2 (0.47) | ESR2CA1CA2MAPTALDH1A1 | |
| SCHEMBL5769437 | 0.69 | ALDH2 (0.39) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8064603 | 0.68 | SLC6A3 (0.54) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5769402 | 0.67 | CA12 (0.44) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16503320 | 0.67 | CA1 (0.58) | ESR1ESR2CA12CA1CA2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118652209-A | Polysubstituted pyrrole compound and synthesis method thereof | 复旦大学 | 2024-09-17 | — | — | CN | disclosed |
| EP-2138496-A1 | Antitumoral analogs of lamellarins | Pharma Mar, S.A.U. (ES) | 2009-12-30 | — | — | EP | disclosed |
| US-7396837-B2 | Antitumoral analogs of lamellarins | PHARMA MAR, S.A.U. (ES) | 2008-07-08 | — | — | US | disclosed |