Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 6/20 | 0.50 |
| ▸ | MEN1 | O00255 | 5/20 | 0.50 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | ATM | Q13315 | 2/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | THRA | P10827 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL9517500 | 0.87 | ALDH1A1 (0.68) | CA1CA2ALDH1A1RAB9AHPGD | |
| SCHEMBL18485212 | 0.82 | CA2 (0.58) | CA1CA2ALDH1A1RAB9AHPGD | |
| SCHEMBL12288390 | 0.82 | MAPT (0.60) | CA1CA2ALDH1A1RAB9AKMT2A | |
| SCHEMBL9797030 | 0.81 | ALDH1A1 (0.59) | ALDH1A1RAB9AHPGDKMT2AMEN1 | |
| SCHEMBL15127695 | 0.81 | TP53 (0.68) | CA1CA2ALDH1A1RAB9AHPGD | |
| SCHEMBL10780544 | 0.81 | ALDH1A1 (0.56) | CA1CA2ALDH1A1RAB9AHPGD | |
| SCHEMBL18601989 | 0.80 | THRA (0.56) | ALDH1A1RAB9AHPGDKMT2AMEN1 | |
| SCHEMBL7142241 | 0.79 | TSHR (0.70) | ALDH1A1RAB9AKMT2AMEN1MAPT | |
| SCHEMBL18602018 | 0.79 | THRA (0.54) | ALDH1A1KMT2AMEN1ATMTHRA | |
| SCHEMBL171873 | 0.78 | POLB (0.70) | CA1CA2ALDH1A1RAB9AKMT2A |
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-3152226-B1 | MODIFIED CYCLOPENTAPEPTIDES AND USES THEREOF | UNIV MUENCHEN TECH (DE) | 2019-05-29 | — | — | EP | disclosed |