Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.67 |
| ▸ | PPARG | P37231 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | CYP19A1 | P11511 | 3/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA9 | Q16790 | 1/20 | 0.34 |
| ▸ | F7 | P08709 | 2/20 | 0.34 |
| ▸ | F3 | P13726 | 2/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | OXER1 | Q8TDS5 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.34 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8573551 | 1.00 | CYP1A2 (0.67) | CYP1A2PPARGALDH1A1TSHREPHX2 | |
| SCHEMBL2597481 | 0.98 | CYP1A2 (0.64) | CYP1A2PPARGALDH1A1TSHREPHX2 | |
| SCHEMBL2597424 | 0.98 | CYP1A2 (0.64) | CYP1A2PPARGALDH1A1TSHREPHX2 | |
| SCHEMBL2597398 | 0.98 | CYP1A2 (0.64) | CYP1A2PPARGALDH1A1TSHREPHX2 | |
| SCHEMBL30754353 | 0.87 | CYP1A2 (0.56) | CYP1A2PPARGCA1CA9PRKCA | |
| SCHEMBL1771764 | 0.87 | CYP1A2 (0.56) | CYP1A2PPARGCA1CA9PRKCA | |
| SCHEMBL30689544 | 0.87 | CYP1A2 (0.56) | CYP1A2PPARGCA1CA9PRKCA | |
| SCHEMBL1771763 | 0.87 | CYP1A2 (0.56) | CYP1A2PPARGCA1CA9PRKCA | |
| SCHEMBL9217047 | 0.87 | CYP1A2 (0.56) | CYP1A2PPARGCA1CA9PRKCA | |
| SCHEMBL2597416 | 0.86 | CYP1A2 (0.64) | CYP1A2PPARGALDH1A1TSHREPHX2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0889945-A1 | FRAGRANT MACROCYCLIC LACTONES | FIRMENICH SA (CH) | 1999-01-13 | — | — | EP | disclosed |
| WO-1997032948-A1 | FRAGRANT MACROCYCLIC LACTONES | FIRMENICH S.A. (CH) | 1997-09-12 | — | — | WO | disclosed |