Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.47 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | CES1 | P23141 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | APEX1 | P27695 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | PKM | P14618 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.44 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28716285 | 0.88 | ALDH1A1 (0.53) | ALDH1A1MAPTSMN1; SMN2KMT2APTPN1 | |
| SCHEMBL2789585 | 0.84 | CES2 (0.56) | ALDH1A1MAPTSMN1; SMN2KMT2APTPN1 | |
| SCHEMBL29005088 | 0.83 | CES2 (0.43) | ALDH1A1MAPTSMN1; SMN2KMT2APTPN1 | |
| SCHEMBL28719685 | 0.82 | ALDH1A1 (0.51) | ALDH1A1MAPTSMN1; SMN2KMT2ACES2 | |
| SCHEMBL28719689 | 0.82 | KMT2A (0.51) | ALDH1A1MAPTSMN1; SMN2KMT2ACES2 | |
| SCHEMBL28722731 | 0.82 | RAB9A (0.49) | ALDH1A1MAPTSMN1; SMN2KMT2APTPN1 | |
| SCHEMBL28714305 | 0.82 | RAB9A (0.56) | ALDH1A1MAPTSMN1; SMN2KMT2ACES2 | |
| SCHEMBL5236110 | 0.82 | CES2 (0.42) | ALDH1A1MAPTSMN1; SMN2KMT2APTPN1 | |
| SCHEMBL30444419 | 0.77 | GAA (0.55) | ALDH1A1MAPTSMN1; SMN2KMT2ACES2 | |
| SCHEMBL30392427 | 0.77 | KCNK3 (0.54) | ALDH1A1MAPTSMN1; SMN2KMT2ATDP1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113501766-B | Asymmetric synthesis method of multi-functional cyclopentenone derivative containing difluoroalkyl | 重庆大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-113501764-B | Asymmetric synthesis method of trifluoromethyl-containing polyfunctional cyclopentenone derivative | 重庆大学 | 2023-05-23 | — | — | CN | disclosed |
| CN-113501764-A | Asymmetric synthesis method of multi-functional cyclopentenone derivative containing trifluoromethyl | 重庆大学 | 2021-10-15 | — | — | CN | disclosed |
| CN-113501766-A | Asymmetric synthesis method of multifunctional cyclopentenone derivative containing difluoroalkyl | 重庆大学 | 2021-10-15 | — | — | CN | disclosed |