Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.60 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 1/20 | 0.55 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | GLO1 | Q04760 | 2/20 | 0.48 |
| ▸ | IKBKB | O14920 | 1/20 | 0.48 |
| ▸ | CHUK | O15111 | 1/20 | 0.48 |
| ▸ | IKBKG | Q9Y6K9 | 1/20 | 0.48 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL10465344 | 1.00 | ALDH1A1 (0.60) | ALDH1A1GAATDP1MAPTNFE2L2 | |
| SCHEMBL11938178 | 0.92 | ALDH1A1 (0.72) | ALDH1A1GAATDP1MAPTNFE2L2 | |
| SCHEMBL6449141 | 0.88 | ALDH1A1 (0.60) | ALDH1A1GAATDP1MAPTNFE2L2 | |
| SCHEMBL6449146 | 0.88 | ALDH1A1 (0.60) | ALDH1A1GAATDP1MAPTNFE2L2 | |
| SCHEMBL10466948 | 0.88 | ALDH1A1 (0.60) | ALDH1A1GAATDP1MAPTNFE2L2 | |
| SCHEMBL1462390 | 0.86 | ALDH1A1 (0.65) | ALDH1A1GAATDP1MAPTKDM4E | |
| SCHEMBL1462389 | 0.86 | ALDH1A1 (0.65) | ALDH1A1GAATDP1MAPTKDM4E | |
| SCHEMBL8430294 | 0.84 | MEN1 (0.47) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL8430296 | 0.84 | MEN1 (0.47) | ALDH1A1MAPTKDM4EHPGDSMN1; SMN2 | |
| SCHEMBL10465351 | 0.82 | KDM4E (0.62) | ALDH1A1GAATDP1MAPTKDM4E |
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-4912221-A | Chiral 1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid and precursors and preparation thereof | OCCIDENTAL CHEMICAL CORPORATION (US) | 1990-03-27 | — | — | US | disclosed |