Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP2 | P08253 | 4/20 | 0.56 |
| ▸ | MMP3 | P08254 | 4/20 | 0.56 |
| ▸ | SLC13A5 | Q86YT5 | 1/20 | 0.48 |
| ▸ | GPR34 | Q9UPC5 | 1/20 | 0.47 |
| ▸ | KIFC1 | Q9BW19 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.46 |
| ▸ | S1PR5 | Q9H228 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.46 |
| ▸ | MGLL | Q99685 | 1/20 | 0.45 |
| ▸ | MME | P08473 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | CDK2 | P24941 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3466524 | 0.90 | FDFT1 (0.51) | MMP2MMP3MGLLHDAC1HDAC8 | |
| SCHEMBL3467260 | 0.88 | MMP2 (0.60) | MMP2MMP3SLC13A5GPR34KIFC1 | |
| SCHEMBL1860059 | 0.87 | MMP12 (0.53) | MMP2MMP3MMEHDAC1 | |
| SCHEMBL3466739 | 0.86 | MMP2 (0.52) | MMP2MMP3GPR34MGLLMME | |
| SCHEMBL3468279 | 0.85 | HCAR2 (0.47) | MMEHDAC1PDE4D | |
| SCHEMBL3466501 | 0.84 | HCAR2 (0.52) | MMP3SLC13A5MAOBMME | |
| SCHEMBL3467101 | 0.83 | FOLH1 (0.46) | MGLLMMEPDE4D | |
| SCHEMBL3466571 | 0.82 | MMP2 (0.48) | MMP2MMP3MME | |
| SCHEMBL3467349 | 0.82 | PDE4A (0.53) | PDE4D | |
| SCHEMBL1857332 | 0.82 | LTA4H (0.52) | MMP2MMP3PPARD |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010070076-A1 | ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2010-06-24 | — | — | WO | claimed |
| WO-2010070076-A1 | ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2010-06-24 | — | — | WO | disclosed |