Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | APEX1 | P27695 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL3720189 | 0.88 | TSHR (0.34) | CYP1A2CYP3A4TSHRNFKB1KDM4E | |
| SCHEMBL3720478 | 0.88 | GLA (0.40) | CYP1A2CYP3A4TSHRNFKB1KDM4E | |
| SCHEMBL3720538 | 0.85 | LMNA (0.31) | CYP1A2LMNASMN1; SMN2 | |
| SCHEMBL3716750 | 0.84 | CYP1A2 (0.35) | CYP1A2CYP3A4TSHRNFKB1MEN1 | |
| SCHEMBL3718486 | 0.82 | TSHR (0.37) | CYP1A2CYP3A4TSHRNFKB1KDM4E | |
| SCHEMBL3722863 | 0.81 | CYP1A2 (0.34) | CYP1A2CYP3A4TSHRNFKB1KDM4E | |
| SCHEMBL3727138 | 0.80 | TSHR (0.34) | CYP1A2CYP3A4TSHRNFKB1KDM4E | |
| SCHEMBL3727694 | 0.79 | MAPT (0.32) | CYP1A2LMNASMN1; SMN2 | |
| SCHEMBL3717625 | 0.79 | S1PR3 (0.36) | CYP1A2CYP3A4TSHRNFKB1KDM4E | |
| SCHEMBL3717501 | 0.79 | GLA (0.39) | CYP1A2CYP3A4TSHRNFKB1KDM4E |
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 |