Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.68 |
| ▸ | EGFR | P00533 | 9/20 | 0.67 |
| ▸ | FBP1 | P09467 | 5/20 | 0.58 |
| ▸ | VCP | P55072 | 3/20 | 0.50 |
| ▸ | SYK | P43405 | 2/20 | 0.50 |
| ▸ | ABL1 | P00519 | 2/20 | 0.49 |
| ▸ | ABL2 | P42684 | 2/20 | 0.49 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.49 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 4/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | GALR2 | O43603 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL6691534 | 1.00 | ALDH1A1 (0.68) | ALDH1A1EGFRFBP1VCPSYK | |
| SCHEMBL205715 | 0.94 | EGFR (0.73) | ALDH1A1EGFRFBP1VCPSYK | |
| SCHEMBL205716 | 0.94 | EGFR (0.73) | ALDH1A1EGFRFBP1VCPSYK | |
| SCHEMBL14789231 | 0.84 | ALDH1A1 (0.89) | ALDH1A1PTPN1LMNAMAPTNPC1 | |
| SCHEMBL79533 | 0.82 | ALDH1A1 (1.00) | ALDH1A1PTPN1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL28033399 | 0.82 | ALDH1A1 (1.00) | ALDH1A1PTPN1LMNAMAPTSMN1; SMN2 | |
| SCHEMBL13244579 | 0.81 | ALDH1A1 (0.82) | ALDH1A1PTPN1LMNAMAPTNPC1 | |
| SCHEMBL3012399 | 0.78 | EGFR (0.58) | ALDH1A1EGFRFBP1VCPSYK | |
| Anisaldehyde SCHEMBL5030943 | 0.78 | FBP1 (0.87) | ALDH1A1EGFRFBP1VCPSYK | |
| SCHEMBL3012401 | 0.78 | EGFR (0.58) | ALDH1A1EGFRFBP1VCPSYK |
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-2004071445-A2 | 2-(AMINOMETHYL)ARYLAMIDE ANALGESICS | PHARMACOPEIA DRUG DISCOVERY, INC. (US) | 2004-08-26 | — | — | WO | disclosed |