Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | MAOB | P27338 | 4/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | NT5E | P21589 | 1/20 | 0.47 |
| ▸ | FLT3 | P36888 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 5/20 | 0.45 |
| ▸ | RAB9A | P51151 | 4/20 | 0.45 |
| ▸ | MEN1 | O00255 | 3/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.45 |
| ▸ | TSHR | P16473 | 2/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL11349135 | 0.86 | MAOB (0.46) | ALDH1A1MAOBCA12CA9KDM4E | |
| SCHEMBL14471296 | 0.81 | ALDH1A1 (0.55) | ALDH1A1MAOBCA12CA9KDM4E | |
| SCHEMBL5515850 | 0.79 | ALDH1A1 (0.52) | ALDH1A1MAOBCA12CA9KDM4E | |
| SCHEMBL31038829 | 0.76 | ALDH1A1 (0.53) | ALDH1A1MAOBCA12CA9KDM4E | |
| SCHEMBL25660611 | 0.75 | FLT3 (0.55) | ALDH1A1MAOBCA12CA9FLT3 | |
| SCHEMBL25662340 | 0.75 | FLT3 (0.55) | ALDH1A1MAOBCA12CA9FLT3 | |
| SCHEMBL12626870 | 0.74 | CYP2D6 (0.46) | ALDH1A1MAOBCA12CA9KDM4E | |
| SCHEMBL11346773 | 0.73 | MMP1 (0.43) | ALDH1A1MAOBNPC1MEN1KMT2A | |
| SCHEMBL12569543 | 0.73 | CYP2D6 (0.45) | ALDH1A1MAOBCA12CA9KDM4E | |
| SCHEMBL12086921 | 0.73 | FLT3 (0.43) | ALDH1A1MAOBCA12CA9KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0020391-A1 | SUBSTITUTED ACETIC ACID ESTERS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1981-01-07 | — | — | EP | disclosed |
| WO-1980000563-A1 | SUBSTITUTED ACETIC ACID ESTERS | SOREX LTD (GB) | 1980-04-03 | — | — | WO | disclosed |