Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIN1 | Q13526 | 6/20 | 0.47 |
| ▸ | PTGES | O14684 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.38 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.36 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.36 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | PDE2A | O00408 | 2/20 | 0.35 |
| ▸ | CBFB | Q13951 | 1/20 | 0.34 |
| ▸ | ALKBH1 | Q13686 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28708977 | 1.00 | PIN1 (0.47) | PIN1PTGESKDM4EALDH1A1PKM | |
| SCHEMBL22678319 | 0.82 | PIN1 (0.62) | PIN1KDM4EALDH1A1PKMHPGD | |
| SCHEMBL22678314 | 0.79 | PTGES (0.36) | PTGESKDM4EALDH1A1TGFBR1TGFBR2 | |
| SCHEMBL18036035 | 0.77 | PDE2A (0.51) | PTGESPDE2A | |
| SCHEMBL29408145 | 0.76 | CYP4F2 (0.42) | PTGESALDH1A1TGFBR1TGFBR2MEN1 | |
| SCHEMBL28689740 | 0.76 | CYP4F2 (0.42) | PTGESALDH1A1TGFBR1TGFBR2MEN1 | |
| SCHEMBL22678313 | 0.74 | MEN1 (0.41) | PIN1PTGESTGFBR1TGFBR2MEN1 | |
| SCHEMBL29408279 | 0.74 | MEN1 (0.41) | PIN1PTGESTGFBR1TGFBR2MEN1 | |
| SCHEMBL18036027 | 0.71 | CBFB (0.44) | PIN1KDM4EALDH1A1RAB9ACBFB | |
| SCHEMBL10647635 | 0.71 | PIN1 (0.65) | PIN1KDM4EALDH1A1PKMHPGD |
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-114127049-A | ACSS2 inhibitors and methods of use thereof | 美特波米德有限公司 | 2022-03-01 | — | — | CN | disclosed |