Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | FGFR2 | P21802 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.38 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.38 |
| ▸ | RAD52 | P43351 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL3719857 | 0.85 | ALDH1A1 (0.37) | ALDH1A1CYP3A4HPGDHSD17B10FGFR2 | |
| SCHEMBL3725263 | 0.85 | MAPT (0.42) | CYP1A2CYP2A6SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3720909 | 0.82 | RAB9A (0.39) | CYP1A2CYP2A6SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3720524 | 0.82 | SMN1; SMN2 (0.39) | CYP1A2CYP2A6SMN1; SMN2MAPTALDH1A1 | |
| SCHEMBL3716766 | 0.81 | SMN1; SMN2 (0.43) | CYP1A2CYP2A6SMN1; SMN2MAPTTP53 | |
| SCHEMBL3722368 | 0.81 | HTT (0.52) | CYP1A2SMN1; SMN2MAPTALDH1A1HPGD | |
| SCHEMBL3722417 | 0.79 | MEN1 (0.38) | SMN1; SMN2MAPTALDH1A1HSD17B10FGFR2 | |
| SCHEMBL3724653 | 0.78 | PDE4B (0.53) | MAPTALDH1A1RAB9ANPC1KMT2A | |
| SCHEMBL3719854 | 0.78 | FGFR2 (0.37) | SMN1; SMN2MAPTALDH1A1CYP3A4HPGD | |
| SCHEMBL18236258 | 0.77 | CYP1A2 (0.47) | CYP1A2CYP2A6SMN1; SMN2MAPTRAB9A |
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-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | claimed |
| WO-2010127208-A1 | INHIBITORS OF ACETYL-COA CARBOXYLASE | FOREST LABORATORIES HOLDINGS LIMITED (BM) | 2010-11-04 | — | — | WO | disclosed |