Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | BCHE | P06276 | 2/20 | 0.45 |
| ▸ | ACHE | P22303 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 3/20 | 0.44 |
| ▸ | CA2 | P00918 | 3/20 | 0.44 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | UBE2M | P61081 | 2/20 | 0.42 |
| ▸ | DCUN1D1 | Q96GG9 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL4355801 | 0.86 | EGFR (0.48) | ALDH1A1NPSR1BCHEACHEMEN1 | |
| SCHEMBL4343719 | 0.84 | ACHE (0.47) | ALDH1A1NPSR1BCHEACHETDP1 | |
| SCHEMBL4351943 | 0.80 | MEN1 (0.46) | ALDH1A1NPSR1BCHEACHEMEN1 | |
| SCHEMBL4351338 | 0.79 | ALOX15 (0.59) | NPSR1MEN1KMT2AGAALMNA | |
| SCHEMBL4342196 | 0.77 | EGFR (0.41) | ALDH1A1NPSR1MEN1KMT2AGAA | |
| SCHEMBL4345339 | 0.77 | ALDH1A1 (0.49) | ALDH1A1NPSR1BCHEACHETDP1 | |
| SCHEMBL4345437 | 0.76 | EGFR (0.48) | ALDH1A1NPSR1BCHEACHEMEN1 | |
| SCHEMBL4354016 | 0.75 | EGFR (0.48) | ALDH1A1NPSR1LMNAHTTEGFR | |
| SCHEMBL30858811 | 0.75 | ALDH1A1 (0.67) | ALDH1A1NPSR1MEN1KMT2AGAA | |
| SCHEMBL11142280 | 0.75 | ALDH1A1 (0.67) | ALDH1A1NPSR1MEN1KMT2AGAA |
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-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | claimed |
| EP-2100876-A2 | New compounds for the inhibition of rotamases and use thereof | Jerini AG (DE) | 2009-09-16 | — | — | EP | disclosed |