Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.33 |
| ▸ | TSHR | P16473 | 3/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA3 | P07451 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | CA6 | P23280 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | CA5A | P35218 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9888403 | 0.77 | SMN1; SMN2 (0.48) | ALDH1A1TSHRSMN1; SMN2KDM4EMAPK1 | |
| SCHEMBL30778207 | 0.76 | MAPT (0.42) | CYP19A1ALDH1A1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL29033641 | 0.75 | RAB9A (0.36) | ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A | |
| SCHEMBL11108233 | 0.69 | CYP19A1 (0.52) | CYP19A1ALDH1A1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL19419845 | 0.67 | CYP1A2 (0.47) | ALDH1A1TSHRSMN1; SMN2KDM4EMEN1 | |
| SCHEMBL9251887 | 0.67 | CYP19A1 (0.43) | CYP19A1ALDH1A1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL1974668 | 0.67 | KIF11 (0.48) | ALDH1A1TSHRSMN1; SMN2MAPK1 | |
| SCHEMBL13713849 | 0.66 | CYP19A1 (0.42) | CYP19A1ALDH1A1TSHRSMN1; SMN2KDM4E | |
| SCHEMBL30778218 | 0.66 | MEN1 (0.34) | ALDH1A1TSHRSMN1; SMN2MEN1KMT2A | |
| SCHEMBL8036000 | 0.66 | KDM4E (0.46) | CYP19A1ALDH1A1TSHRSMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-117603027-A | Olefin difunctional method and delta-trifluoromethyl ketone product prepared by same | 重庆理工大学 | 2024-02-27 | — | — | CN | disclosed |