Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 2/20 | 0.78 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.58 |
| ▸ | HPGD | P15428 | 2/20 | 0.58 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.55 |
| ▸ | MAPT | P10636 | 4/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 7/20 | 0.55 |
| ▸ | LMNA | P02545 | 4/20 | 0.55 |
| ▸ | MITF | O75030 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 4/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.55 |
| ▸ | MEN1 | O00255 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.55 |
| ▸ | RAB9A | P51151 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 1/20 | 0.51 |
| ▸ | CA2 | P00918 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL4316032 | 1.00 | CYP19A1 (0.78) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL8055165 | 1.00 | CYP19A1 (0.78) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL11932083 | 0.89 | CYP19A1 (0.76) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL21350201 | 0.88 | CYP19A1 (0.61) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL12858216 | 0.88 | CYP19A1 (0.61) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL8016109 | 0.85 | CYP19A1 (0.58) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL23151807 | 0.84 | CYP19A1 (0.57) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL23171767 | 0.83 | CYP19A1 (0.56) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL21349972 | 0.82 | CYP19A1 (0.58) | CYP19A1ALDH1A1HPGDNPSR1MAPT | |
| SCHEMBL17363768 | 0.82 | NPSR1 (0.59) | CYP19A1ALDH1A1HPGDNPSR1MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-6090913-A | PREPARING PEPTIDES, PEPTIDE ESTERS, AMINO ACIDS, AND AMINO ACID ESTERS BY MIXING STARTING MATERIAL WITH CHIRAL CARBON IN SOLUTION UNDER SAPONIFYING CONDITIONS WITH ALCOHOL, WATER AND AMIDINE BASE, HEAT MIXTURE; ACCELERATES REACTION | DEGUSSA-HULS AKTIENGESELLSCHAFT (DE) | 2000-07-18 | — | — | US | disclosed |