Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC4 | P56524 | 8/20 | 0.43 |
| ▸ | MEF2D | Q14814 | 8/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | MMP1 | P03956 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 2/20 | 0.41 |
| ▸ | MMP9 | P14780 | 2/20 | 0.41 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP4F2 | P78329 | 1/20 | 0.38 |
| ▸ | CYP4A11 | Q02928 | 1/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2727257 | 1.00 | HDAC4 (0.43) | HDAC4MEF2DTRPV1MMP1MMP2 | |
| SCHEMBL1411065 | 0.86 | SLC6A19 (0.39) | HDAC4MEF2DTRPV1MMP1MMP2 | |
| SCHEMBL1411066 | 0.86 | SLC6A19 (0.39) | HDAC4MEF2DTRPV1MMP1MMP2 | |
| SCHEMBL1411170 | 0.84 | TDP1 (0.40) | HDAC4MEF2DTRPV1MMP1MMP2 | |
| SCHEMBL1411168 | 0.84 | TDP1 (0.40) | HDAC4MEF2DTRPV1MMP1MMP2 | |
| SCHEMBL3457262 | 0.79 | HDAC4 (0.40) | HDAC4MEF2DMMP1MMP2MMP9 | |
| SCHEMBL3457267 | 0.79 | HDAC4 (0.40) | HDAC4MEF2DMMP1MMP2MMP9 | |
| SCHEMBL1411360 | 0.78 | MAOB (0.50) | HDAC4MMP1MMP2MMP9ACHE | |
| SCHEMBL1411075 | 0.78 | TAS1R3 (0.40) | NOS2ALDH1A1 | |
| SCHEMBL1411363 | 0.78 | MAOB (0.50) | HDAC4MMP1MMP2MMP9ACHE |
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-2012025701-A1 | ALPHA, ALPHA - DI SUBSTITUTED GLYCINE ESTER DERIVATIVES AND THEIR USE AS HDAC INHIBITORS | CHROMA THERAPEUTICS LTD. (GB) | 2012-03-01 | — | — | WO | disclosed |