Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GPR84 | Q9NQS5 | 4/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.31 |
| ▸ | GMNN | O75496 | 3/20 | 0.31 |
| ▸ | LMNA | P02545 | 3/20 | 0.31 |
| ▸ | MAPT | P10636 | 3/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.31 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.31 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 2/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | BLM | P54132 | 2/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.31 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL4196721 | 1.00 | ALDH1A1 (0.32) | ALDH1A1GPR84TSHRCYP1A2MAPK1 | |
| SCHEMBL4197904 | 0.91 | GPR84 (0.37) | GPR84TSHRCYP1A2MAPK1GMNN | |
| SCHEMBL4199095 | 0.87 | ALDH1A1 (0.34) | ALDH1A1LMNAADRA1A | |
| SCHEMBL4203504 | 0.83 | MGAM (0.32) | ALDH1A1TSHRMAPTHDAC1HDAC2 | |
| SCHEMBL27627837 | 0.77 | ALDH1A1 (0.36) | ALDH1A1TSHRCYP1A2MAPK1GMNN | |
| SCHEMBL4206738 | 0.77 | CA2 (0.41) | ALDH1A1MAPK1KMT2A | |
| SCHEMBL6802604 | 0.75 | GPR84 (0.51) | GPR84TSHRCYP1A2MAPK1GMNN | |
| SCHEMBL4211615 | 0.75 | RECQL (0.37) | TSHRKMT2ATP53TDP1 | |
| SCHEMBL4194634 | 0.75 | RECQL (0.37) | TSHRKMT2ATP53TDP1 | |
| SCHEMBL4211611 | 0.75 | RECQL (0.37) | TSHRKMT2ATP53TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2006100606-A2 | PREPARATION OF BETA-AMINO ACID PRECURSORS VIA INDIUM (III) MEDIATED MARKOVNIKOV ADDITION AND KNOEVENAGEL CONDENSATION | WARNER-LAMBERT COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |