Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | CXCR3 | P49682 | 2/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.33 |
| ▸ | MGMT | P16455 | 1/20 | 0.33 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.33 |
| ▸ | CDK2 | P24941 | 1/20 | 0.33 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.33 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13434439 | 0.93 | MEN1 (0.35) | ALDH1A1ALOX15PKMCXCR3RAB9A | |
| SCHEMBL9414387 | 0.80 | ALDH1A1 (0.40) | ALDH1A1ALOX15PKMCXCR3RAB9A | |
| SCHEMBL13084176 | 0.79 | CXCR3 (0.40) | ALDH1A1ALOX15PKMCXCR3RAB9A | |
| SCHEMBL10881311 | 0.78 | CXCR3 (0.41) | ALDH1A1ALOX15PKMCXCR3RAB9A | |
| SCHEMBL10881315 | 0.78 | CXCR3 (0.41) | ALDH1A1ALOX15PKMCXCR3RAB9A | |
| SCHEMBL10881322 | 0.78 | CXCR3 (0.41) | ALDH1A1ALOX15PKMCXCR3RAB9A | |
| SCHEMBL22049059 | 0.75 | — | — | |
| SCHEMBL196177 | 0.75 | ALDH1A1 (0.49) | ALDH1A1ALOX15PKMRAB9ANPC1 | |
| SCHEMBL9350883 | 0.74 | CDK1 (0.38) | ALDH1A1ALOX15CYP3A4PKMCXCR3 | |
| SCHEMBL724520 | 0.73 | ALDH1A1 (0.47) | ALDH1A1ALOX15PKMRAB9ASMN1; SMN2 |
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-1991003449-A1 | ISOMERIZATION OF ALK-2-ENYL ETHERS | GAF CHEMICALS CORPORATION (US) | 1991-03-21 | — | — | WO | disclosed |