Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.45 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | ACACB | O00763 | 4/20 | 0.40 |
| ▸ | ACACA | Q13085 | 4/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | MMP3 | P08254 | 1/20 | 0.38 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | PNLIP | P16233 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3717509 | 0.90 | FFAR4 (0.47) | ALDH1A3POLBACACBKDM4EFFAR4 | |
| SCHEMBL3726328 | 0.83 | ACACB (0.40) | ALDH1A3POLBMAPK1CYP1A2ACACB | |
| SCHEMBL13735220 | 0.82 | ALDH1A3 (0.59) | ALDH1A3POLBMAPK1CYP1A2GAA | |
| SCHEMBL3719900 | 0.81 | POLB (0.42) | ALDH1A3POLBMAPK1CYP1A2GAA | |
| SCHEMBL3717486 | 0.81 | ADRA2A (0.41) | ALDH1A3POLBKDM4EP2RX3 | |
| SCHEMBL3719408 | 0.81 | LTA4H (0.47) | POLBKDM4EFFAR4KMT2ARAB9A | |
| SCHEMBL3717666 | 0.79 | FFAR4 (0.44) | POLBMAPK1CYP1A2GAACYP2D6 | |
| SCHEMBL3720748 | 0.79 | CYP1A2 (0.43) | POLBCYP1A2GAACYP2D6CYP2C19 | |
| SCHEMBL3720631 | 0.77 | ACACB (0.35) | CYP2C19ACACBACACA | |
| SCHEMBL14992485 | 0.76 | ALDH1A3 (0.45) | ALDH1A3POLBMAPK1GAAACACB |
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-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |